3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid

C16H16O5 — CID 53227259

IUPAC3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2OC)cc1OC
InChIInChI=1S/C16H16O5/c1-19-13-8-7-10(9-14(13)20-2)11-5-4-6-12(16(17)18)15(11)21-3/h4-9H,1-3H3,(H,17,18)
InChIKeyDCKARWRYAQCHII-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.08
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid

3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid (PubChem CID 53227259) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
PubChem CID53227259
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2OC)cc1OC
InChIInChI=1S/C16H16O5/c1-19-13-8-7-10(9-14(13)20-2)11-5-4-6-12(16(17)18)15(11)21-3/h4-9H,1-3H3,(H,17,18)
InChIKeyDCKARWRYAQCHII-UHFFFAOYSA-N
XLogP3.08
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287
2-methoxy-3-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228634
3-(4-hydroxyphenyl)-2-methoxybenzoic acid
CID 53224993
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
3-[3-(hydroxymethyl)phenyl]-2-methoxybenzoic acid
CID 53225350
2-methoxy-3-(3-methoxycarbonylphenyl)benzoic acid
CID 53227096
2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid
CID 53227127
2-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 70462111
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
3-(4-ethoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53227875
2-[4-[2-[2-[2-[4-(2-carboxyphenyl)phenyl]ethynyl]-4,5-dimethoxyphenyl]ethynyl]phenyl]benzoic acid
CID 24776888

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid (CID 53227259) is 3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid is COc1ccc(-c2cccc(C(=O)O)c2OC)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid?
The InChIKey is DCKARWRYAQCHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-19-13-8-7-10(9-14(13)20-2)11-5-4-6-12(16(17)18)15(11)21-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid?
3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid has a molecular weight of 288.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid is sourced from PubChem (CID 53227259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).