3-(3-phenylprop-2-enyl)benzene-1,2-diol

C15H14O2 — CID 54349288

IUPAC3-(3-phenylprop-2-enyl)benzene-1,2-diol
SMILESOc1cccc(CC=Cc2ccccc2)c1O
InChIInChI=1S/C15H14O2/c16-14-11-5-10-13(15(14)17)9-4-8-12-6-2-1-3-7-12/h1-8,10-11,16-17H,9H2
InChIKeyUEOJFRASCSXHBM-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.35
Rot. Bonds3

About 3-(3-phenylprop-2-enyl)benzene-1,2-diol

3-(3-phenylprop-2-enyl)benzene-1,2-diol (PubChem CID 54349288) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(3-phenylprop-2-enyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(3-phenylprop-2-enyl)benzene-1,2-diol
PubChem CID54349288
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name3-(3-phenylprop-2-enyl)benzene-1,2-diol
SMILESOc1cccc(CC=Cc2ccccc2)c1O
InChIInChI=1S/C15H14O2/c16-14-11-5-10-13(15(14)17)9-4-8-12-6-2-1-3-7-12/h1-8,10-11,16-17H,9H2
InChIKeyUEOJFRASCSXHBM-UHFFFAOYSA-N
XLogP3.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
CID 14224897
2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol
CID 162361498
1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene
CID 10923714
5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361461
4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 12564792
3-hydroxy-4-[(E)-3-phenylprop-2-enyl]benzonitrile
CID 162361494
4-methoxy-2-[(Z)-3-phenylprop-2-enyl]phenol
CID 10263673
1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
CID 141008149
1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone
CID 138973706
but-1-enylbenzene;3-phenylbenzene-1,2-diol
CID 174676185
2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol
CID 54476049

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylprop-2-enyl)benzene-1,2-diol?
The IUPAC name of 3-(3-phenylprop-2-enyl)benzene-1,2-diol (CID 54349288) is 3-(3-phenylprop-2-enyl)benzene-1,2-diol.
What is the SMILES notation for 3-(3-phenylprop-2-enyl)benzene-1,2-diol?
The canonical SMILES for 3-(3-phenylprop-2-enyl)benzene-1,2-diol is Oc1cccc(CC=Cc2ccccc2)c1O.
What is the InChIKey of 3-(3-phenylprop-2-enyl)benzene-1,2-diol?
The InChIKey is UEOJFRASCSXHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-14-11-5-10-13(15(14)17)9-4-8-12-6-2-1-3-7-12/h1-8,10-11,16-17H,9H2.
What are the key properties of 3-(3-phenylprop-2-enyl)benzene-1,2-diol?
3-(3-phenylprop-2-enyl)benzene-1,2-diol has a molecular weight of 226.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylprop-2-enyl)benzene-1,2-diol is sourced from PubChem (CID 54349288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).