2-Methyl-1-phenylpropene

Details

• Internal ID: 873479dc-6066-4180-bf3f-2c87f30cc2ab
• Taxonomy: Benzenoids > Benzene and substituted derivatives
• IUPAC Name: 2-methylprop-1-enylbenzene
• SMILES (Canonical): CC(=CC1=CC=CC=C1)C
• SMILES (Isomeric): CC(=CC1=CC=CC=C1)C
• InChI: InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3
• InChI Key: BTOVVHWKPVSLBI-UHFFFAOYSA-N
• Popularity: 103 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₂
• Molecular Weight: 132.20 g/mol
• Exact Mass: 132.093900383 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 3.80

Synonyms

• 2-Methyl-1-phenylpropene
• (2-Methylprop-1-en-1-yl)benzene
• (2-Methylpropenyl)benzene
• 2-Methyl-1-phenyl-1-propene
• 1-Phenyl-2-methylpropene
• Benzene, (2-methyl-1-propenyl)-
• 2-methylprop-1-enylbenzene
• (2-METHYL-1-PROPENYL)BENZENE
• Benzene, (2-methylpropenyl)-
• isobutenylbenzene
• 1,1-Dimethyl-2-phenylethylene
• 1-Propene, 2-methyl-1-phenyl-
• Propene, 2-methyl-1-phenyl-
• .beta.-Methylisoallylbenzene
• 1-Phenyl-2-methyl-1-propene
• Benzene, (2-methyl-1-propen-1-yl)-
• .beta.,.beta.-Dimethylstyrene
• NSC 163349
• XR7OYT372M
• MFCD00008899
• NSC-163349
• beta,beta-Dimethylstyrene
• beta-Methylisoallylbenzene
• EINECS 212-194-6
• NSC163349
• UNII-XR7OYT372M
• 2-BENZYLIDENEPROPANE
• BENZENE, ISOBUTENYL-
• (2-methyl-propenyl)-benzene
• .BETA.-DIMETHYLSTYRENE
• (2-methylprop-1-enyl)benzene
• DTXSID0061111
• (2-Methyl-1-propenyl)benzene #
• 2-Methylprop-1-en-1-yl)benzene
• 2-Methyl-1-phenyl-1-propene, 99%
• 2-METHYL-3-PHENYL-2-PROPENE
• AKOS015889451
• CS-W007259
• DS-6358
• SY055240
• (2-METHYL-1-PROPEN-1-YL)BENZENE
• FT-0733561
• M1015
• W16227
• A865400
• InChI=1/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	93.46%	94.62%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.14%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.18%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.94%	86.33%
CHEMBL2581	P07339	Cathepsin D	88.75%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	86.30%	94.73%
CHEMBL221	P23219	Cyclooxygenase-1	85.45%	90.17%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	84.02%	94.08%
CHEMBL1951	P21397	Monoamine oxidase A	83.32%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.01%	96.09%

Plants that contains it

• Hyptis spicigera
• Pelargonium quercifolium

Cross-Links

• PubChem: 13030
• LOTUS: LTS0117893
• wikiData: Q81989319