(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid

C16H14O4 — CID 89404903

IUPAC(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(O)c(OCc2ccccc2)c1
InChIInChI=1S/C16H14O4/c17-14-8-6-12(7-9-16(18)19)10-15(14)20-11-13-4-2-1-3-5-13/h1-10,17H,11H2,(H,18,19)/b9-7+
InChIKeySUPUCNVSRPQESH-VQHVLOKHSA-N
MW270.28 g/mol
LogP3.07
Rot. Bonds5

About (E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid

(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid (PubChem CID 89404903) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid
PubChem CID89404903
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(O)c(OCc2ccccc2)c1
InChIInChI=1S/C16H14O4/c17-14-8-6-12(7-9-16(18)19)10-15(14)20-11-13-4-2-1-3-5-13/h1-10,17H,11H2,(H,18,19)/b9-7+
InChIKeySUPUCNVSRPQESH-VQHVLOKHSA-N
XLogP3.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid 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

(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
(Z)-3-(3-nitro-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 82152609
(E)-3-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42314643
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944
3-[4-[(2-fluorophenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908430
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
3-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 22684129
1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one
CID 175537344
(1Z,4E)-5-[3,4-bis(phenylmethoxy)phenyl]-1-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 11250218
trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174973622
3-[3-[5-(2-carboxyethenyl)-2-hydroxyphenyl]-4-hydroxyphenyl]prop-2-enoic acid
CID 73319213
3-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]prop-2-enoic acid
CID 76997982

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid (CID 89404903) is (E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid is O=C(O)/C=C/c1ccc(O)c(OCc2ccccc2)c1.
What is the InChIKey of (E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid?
The InChIKey is SUPUCNVSRPQESH-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H14O4/c17-14-8-6-12(7-9-16(18)19)10-15(14)20-11-13-4-2-1-3-5-13/h1-10,17H,11H2,(H,18,19)/b9-7+.
What are the key properties of (E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid?
(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 89404903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).