3-(hydroxymethyl)-5-methoxybenzoic acid

C9H10O4 — CID 66589238

IUPAC3-(hydroxymethyl)-5-methoxybenzoic acid
SMILESCOc1cc(CO)cc(C(=O)O)c1
InChIInChI=1S/C9H10O4/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyYNZWXBOBAALRRW-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.89
Rot. Bonds3

About 3-(hydroxymethyl)-5-methoxybenzoic acid

3-(hydroxymethyl)-5-methoxybenzoic acid (PubChem CID 66589238) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-methoxybenzoic acid
PubChem CID66589238
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name3-(hydroxymethyl)-5-methoxybenzoic acid
SMILESCOc1cc(CO)cc(C(=O)O)c1
InChIInChI=1S/C9H10O4/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyYNZWXBOBAALRRW-UHFFFAOYSA-N
XLogP0.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 144848774
3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid
CID 169453816
(3-tert-butyl-5-methoxyphenyl)methanol
CID 135139096
1-[3-(chloromethyl)-5-methoxyphenyl]ethanone
CID 70550053
4-deuterio-3,5-dimethoxybenzoic acid
CID 11159692
3-ethoxycarbonyl-5-methoxybenzoic acid
CID 15472357
4-[2-[3-[2-(4-carboxyphenyl)ethyl]-5-methoxyphenyl]ethyl]benzoic acid
CID 171715372
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
3-methoxy-5-pentan-3-yloxybenzoic acid
CID 21061969
tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate
CID 67116705
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-methoxybenzoic acid?
The IUPAC name of 3-(hydroxymethyl)-5-methoxybenzoic acid (CID 66589238) is 3-(hydroxymethyl)-5-methoxybenzoic acid.
What is the SMILES notation for 3-(hydroxymethyl)-5-methoxybenzoic acid?
The canonical SMILES for 3-(hydroxymethyl)-5-methoxybenzoic acid is COc1cc(CO)cc(C(=O)O)c1.
What is the InChIKey of 3-(hydroxymethyl)-5-methoxybenzoic acid?
The InChIKey is YNZWXBOBAALRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-4,10H,5H2,1H3,(H,11,12).
What are the key properties of 3-(hydroxymethyl)-5-methoxybenzoic acid?
3-(hydroxymethyl)-5-methoxybenzoic acid has a molecular weight of 182.17 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-methoxybenzoic acid is sourced from PubChem (CID 66589238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).