[3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate

C21H16O3 — CID 15940306

IUPAC[3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate
SMILESO=C(Oc1cc(O)cc(/C=C/c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H16O3/c22-19-13-17(12-11-16-7-3-1-4-8-16)14-20(15-19)24-21(23)18-9-5-2-6-10-18/h1-15,22H/b12-11+
InChIKeyXGTACMOXISNEFH-VAWYXSNFSA-N
MW316.36 g/mol
LogP4.78
Rot. Bonds4

About [3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate

[3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate (PubChem CID 15940306) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate.

Molecular Properties

Compound Name[3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate
PubChem CID15940306
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name[3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate
SMILESO=C(Oc1cc(O)cc(/C=C/c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H16O3/c22-19-13-17(12-11-16-7-3-1-4-8-16)14-20(15-19)24-21(23)18-9-5-2-6-10-18/h1-15,22H/b12-11+
InChIKeyXGTACMOXISNEFH-VAWYXSNFSA-N
XLogP4.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate 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

[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl] 2-hydroxybenzoate
CID 76698688
(3-ethenylphenyl) benzoate
CID 18762156
[3-[2-(4-hydroxyphenyl)ethenyl]-5-(3,4,5-trihydroxybenzoyl)oxyphenyl] 3,4,5-trihydroxybenzoate
CID 85130163
[4-[2-[3,5,6-tris[2-(4-benzoyloxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl] benzoate
CID 54020846
1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 174616800
(3-benzoyloxy-4-formyl-5-hydroxyphenyl) benzoate
CID 131871766
phenyl 4-[(E)-2-bromoethenyl]benzoate
CID 102410543
[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate
CID 155004792
[4-[(1E,6E)-7-(4-benzoyloxyphenyl)-3,5-dioxohepta-1,6-dienyl]phenyl] benzoate
CID 45276598
(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
phenyl benzoate;sulfuryl dichloride
CID 162241119

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate?
The IUPAC name of [3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate (CID 15940306) is [3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate.
What is the SMILES notation for [3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate?
The canonical SMILES for [3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate is O=C(Oc1cc(O)cc(/C=C/c2ccccc2)c1)c1ccccc1.
What is the InChIKey of [3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate?
The InChIKey is XGTACMOXISNEFH-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H16O3/c22-19-13-17(12-11-16-7-3-1-4-8-16)14-20(15-19)24-21(23)18-9-5-2-6-10-18/h1-15,22H/b12-11+.
What are the key properties of [3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate?
[3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate has a molecular weight of 316.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate is sourced from PubChem (CID 15940306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).