2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid

C16H16O4 — CID 53226287

IUPAC2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2OC)cc1C
InChIInChI=1S/C16H16O4/c1-10-9-11(7-8-14(10)19-2)12-5-4-6-13(16(17)18)15(12)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyBFBCVWSBAVQAEP-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.38
Rot. Bonds4

About 2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid

2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid (PubChem CID 53226287) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
PubChem CID53226287
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2OC)cc1C
InChIInChI=1S/C16H16O4/c1-10-9-11(7-8-14(10)19-2)12-5-4-6-13(16(17)18)15(12)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyBFBCVWSBAVQAEP-UHFFFAOYSA-N
XLogP3.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
CID 53227259
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
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
3-(4-ethoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53227875
2-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 70462111
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid?
The IUPAC name of 2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid (CID 53226287) is 2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid.
What is the SMILES notation for 2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid?
The canonical SMILES for 2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid is COc1ccc(-c2cccc(C(=O)O)c2OC)cc1C.
What is the InChIKey of 2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid?
The InChIKey is BFBCVWSBAVQAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-10-9-11(7-8-14(10)19-2)12-5-4-6-13(16(17)18)15(12)20-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid?
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid is sourced from PubChem (CID 53226287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).