2-Ethenylphenol

Details

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Internal ID 0db3970f-a2b7-456f-ae4f-8a59812cf1d0
Taxonomy Benzenoids > Benzene and substituted derivatives > Styrenes
IUPAC Name 2-ethenylphenol
SMILES (Canonical) C=CC1=CC=CC=C1O
SMILES (Isomeric) C=CC1=CC=CC=C1O
InChI InChI=1S/C8H8O/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H2
InChI Key JESXATFQYMPTNL-UHFFFAOYSA-N
Popularity 287 references in papers

Physical and Chemical Properties

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Molecular Formula C8H8O
Molecular Weight 120.15 g/mol
Exact Mass 120.057514874 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 2.30

Synonyms

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2-vinylphenol
Vinylphenol
695-84-1
Phenol, 2-ethenyl-
2-HYDROXYSTYRENE
Phenol, ethenyl-
31257-96-2
I4M2EJN11W
o-Vinylphenol
o-Hydroxystyrene
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-Ethenylphenol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.99% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.59% 95.56%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 87.73% 83.57%
CHEMBL2581 P07339 Cathepsin D 86.67% 98.95%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 83.58% 94.62%

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.
Cinnamomum verum

Cross-Links

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PubChem 135442
LOTUS LTS0235059
wikiData Q27280437