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

C10H10O4 — CID 736186

IUPAC(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C/C(=O)O)cc1O
InChIInChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChIKeyQURCVMIEKCOAJU-HWKANZROSA-N
MW194.19 g/mol
LogP1.50
Rot. Bonds3

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

(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid (PubChem CID 736186) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
PubChem CID736186
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C/C(=O)O)cc1O
InChIInChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChIKeyQURCVMIEKCOAJU-HWKANZROSA-N
XLogP1.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3-hydroxy-4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid (CID 736186) is (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C=C/C(=O)O)cc1O.
What is the InChIKey of (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is QURCVMIEKCOAJU-HWKANZROSA-N. The full InChI is InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+.
What are the key properties of (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 736186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).