5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid

C17H18O4 — CID 65339710

IUPAC5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(COc2cccc(C)c2C)cc1C(=O)O
InChIInChI=1S/C17H18O4/c1-11-5-4-6-15(12(11)2)21-10-13-7-8-16(20-3)14(9-13)17(18)19/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyJWKBMAFRFMEATB-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.59
Rot. Bonds5

About 5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid

5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid (PubChem CID 65339710) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid
PubChem CID65339710
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(COc2cccc(C)c2C)cc1C(=O)O
InChIInChI=1S/C17H18O4/c1-11-5-4-6-15(12(11)2)21-10-13-7-8-16(20-3)14(9-13)17(18)19/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyJWKBMAFRFMEATB-UHFFFAOYSA-N
XLogP3.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2,3-dimethylphenoxy)methyl]-2-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

5-[(4-bromo-2-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339716
3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
CID 82826882
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339281
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
4-[(2-bromo-4-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 106794003
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]benzoic acid
CID 20988227
5-ethyl-2-methoxybenzoic acid
CID 20721149
2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid
CID 115297973
2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43413586
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
CID 7139641
2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid (CID 65339710) is 5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid is COc1ccc(COc2cccc(C)c2C)cc1C(=O)O.
What is the InChIKey of 5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid?
The InChIKey is JWKBMAFRFMEATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-11-5-4-6-15(12(11)2)21-10-13-7-8-16(20-3)14(9-13)17(18)19/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of 5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid?
5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 65339710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).