3-methoxy-2-(3-methoxyphenyl)benzoic acid

C15H14O4 — CID 19594928

IUPAC3-methoxy-2-(3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2c(OC)cccc2C(=O)O)c1
InChIInChI=1S/C15H14O4/c1-18-11-6-3-5-10(9-11)14-12(15(16)17)7-4-8-13(14)19-2/h3-9H,1-2H3,(H,16,17)
InChIKeyIQVXSOAUFWRIEE-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.07
Rot. Bonds4

About 3-methoxy-2-(3-methoxyphenyl)benzoic acid

3-methoxy-2-(3-methoxyphenyl)benzoic acid (PubChem CID 19594928) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-methoxy-2-(3-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-methoxy-2-(3-methoxyphenyl)benzoic acid
PubChem CID19594928
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-methoxy-2-(3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2c(OC)cccc2C(=O)O)c1
InChIInChI=1S/C15H14O4/c1-18-11-6-3-5-10(9-11)14-12(15(16)17)7-4-8-13(14)19-2/h3-9H,1-2H3,(H,16,17)
InChIKeyIQVXSOAUFWRIEE-UHFFFAOYSA-N
XLogP3.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid
CID 123626157
3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
3-ethoxycarbonyl-2-(3-methoxyphenyl)benzoic acid
CID 169449752
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
CID 116810848
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid
CID 21217723
3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
CID 142659865
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
[3-(2,6-dimethoxyphenyl)phenyl] propanoate
CID 142465207
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methoxyphenyl)benzoic acid?
The IUPAC name of 3-methoxy-2-(3-methoxyphenyl)benzoic acid (CID 19594928) is 3-methoxy-2-(3-methoxyphenyl)benzoic acid.
What is the SMILES notation for 3-methoxy-2-(3-methoxyphenyl)benzoic acid?
The canonical SMILES for 3-methoxy-2-(3-methoxyphenyl)benzoic acid is COc1cccc(-c2c(OC)cccc2C(=O)O)c1.
What is the InChIKey of 3-methoxy-2-(3-methoxyphenyl)benzoic acid?
The InChIKey is IQVXSOAUFWRIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-11-6-3-5-10(9-11)14-12(15(16)17)7-4-8-13(14)19-2/h3-9H,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-2-(3-methoxyphenyl)benzoic acid?
3-methoxy-2-(3-methoxyphenyl)benzoic acid has a molecular weight of 258.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methoxyphenyl)benzoic acid is sourced from PubChem (CID 19594928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).