5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol

C14H12O3 — CID 131983601

IUPAC5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol
SMILESOC(=Cc1cc(O)cc(O)c1)c1ccccc1
InChIInChI=1S/C14H12O3/c15-12-6-10(7-13(16)9-12)8-14(17)11-4-2-1-3-5-11/h1-9,15-17H
InChIKeyKRYXCXMGGIINEA-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.15
Rot. Bonds2

About 5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol

5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol (PubChem CID 131983601) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol
PubChem CID131983601
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol
SMILESOC(=Cc1cc(O)cc(O)c1)c1ccccc1
InChIInChI=1S/C14H12O3/c15-12-6-10(7-13(16)9-12)8-14(17)11-4-2-1-3-5-11/h1-9,15-17H
InChIKeyKRYXCXMGGIINEA-UHFFFAOYSA-N
XLogP3.15
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-phenyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethenyl]benzene-1,3-diol
CID 118481918
benzene-1,3,5-triol;benzoic acid
CID 71381756
(E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal
CID 82114899
1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 174616800
2-[2-hydroxy-2-(3-methoxyphenyl)ethenyl]phenol
CID 141465495
2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol
CID 507219
(Z)-2-[3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-yl]-1-phenylethenol
CID 135452041
1,2-diphenylethenylbenzene;phenol;phosphoric acid
CID 174310786
4-(2-phenylprop-1-enyl)phenol
CID 54547938
benzene-1,3-diol;phenol
CID 23218590
benzene-1,3-diol;benzoic acid
CID 53446063
3-(3,5-dimethylphenyl)-2-phenylprop-2-enoic acid
CID 76916002

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol?
The IUPAC name of 5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol (CID 131983601) is 5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol.
What is the SMILES notation for 5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol?
The canonical SMILES for 5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol is OC(=Cc1cc(O)cc(O)c1)c1ccccc1.
What is the InChIKey of 5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol?
The InChIKey is KRYXCXMGGIINEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-6-10(7-13(16)9-12)8-14(17)11-4-2-1-3-5-11/h1-9,15-17H.
What are the key properties of 5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol?
5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol has a molecular weight of 228.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-phenylethenyl)benzene-1,3-diol is sourced from PubChem (CID 131983601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).