1-(4-Ethylphenyl)ethanol

Details

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Internal ID 6b23bff4-9cfc-406d-a680-1cafd46fa537
Taxonomy Benzenoids > Benzene and substituted derivatives
IUPAC Name 1-(4-ethylphenyl)ethanol
SMILES (Canonical) CCC1=CC=C(C=C1)C(C)O
SMILES (Isomeric) CCC1=CC=C(C=C1)C(C)O
InChI InChI=1S/C10H14O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-8,11H,3H2,1-2H3
InChI Key HZFBZEOPUXCNHK-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14O
Molecular Weight 150.22 g/mol
Exact Mass 150.104465066 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 2.20

Synonyms

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33967-18-9
Benzenemethanol, 4-ethyl-a-methyl-
1-(4-ethylphenyl)ethan-1-ol
SCHEMBL3918914
AKOS000249427
AB90914
CS-0451316
EN300-295604
F80225

2D Structure

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2D Structure of 1-(4-Ethylphenyl)ethanol

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 97.03% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.85% 96.09%
CHEMBL3492 P49721 Proteasome Macropain subunit 88.99% 90.24%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.69% 97.25%
CHEMBL4208 P20618 Proteasome component C5 84.84% 90.00%
CHEMBL221 P23219 Cyclooxygenase-1 84.03% 90.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.80% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 81.79% 94.73%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Illicium verum

Cross-Links

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PubChem 13481016
LOTUS LTS0090153
wikiData Q105035642