3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid

C11H12O4 — CID 169453816

IUPAC3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid
SMILESCOc1cc(C=CCO)cc(C(=O)O)c1
InChIInChI=1S/C11H12O4/c1-15-10-6-8(3-2-4-12)5-9(7-10)11(13)14/h2-3,5-7,12H,4H2,1H3,(H,13,14)
InChIKeyGMOKBPHTMNPDHN-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.40
Rot. Bonds4

About 3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid

3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid (PubChem CID 169453816) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid
PubChem CID169453816
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid
SMILESCOc1cc(C=CCO)cc(C(=O)O)c1
InChIInChI=1S/C11H12O4/c1-15-10-6-8(3-2-4-12)5-9(7-10)11(13)14/h2-3,5-7,12H,4H2,1H3,(H,13,14)
InChIKeyGMOKBPHTMNPDHN-UHFFFAOYSA-N
XLogP1.40
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic 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

3-(3,5-dimethoxyphenyl)prop-2-en-1-ol
CID 71346140
3-(hydroxymethyl)-5-methoxybenzoic acid
CID 66589238
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzoic acid
CID 15511507
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453813
3-[(diaminomethylidenehydrazinylidene)methyl]-5-methoxybenzoic acid
CID 168592799
3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid
CID 69110649
2-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453819
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxybenzoic acid
CID 101130006
4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid
CID 169453817
4-deuterio-3,5-dimethoxybenzoic acid
CID 11159692
(E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid;ethane
CID 142856131
(E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid;methane
CID 134814304

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid?
The IUPAC name of 3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid (CID 169453816) is 3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid.
What is the SMILES notation for 3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid?
The canonical SMILES for 3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid is COc1cc(C=CCO)cc(C(=O)O)c1.
What is the InChIKey of 3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid?
The InChIKey is GMOKBPHTMNPDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-15-10-6-8(3-2-4-12)5-9(7-10)11(13)14/h2-3,5-7,12H,4H2,1H3,(H,13,14).
What are the key properties of 3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid?
3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid is sourced from PubChem (CID 169453816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).