2-methoxy-5-(3-methylbenzoyl)benzoic acid

C16H14O4 — CID 22917219

IUPAC2-methoxy-5-(3-methylbenzoyl)benzoic acid
SMILESCOc1ccc(C(=O)c2cccc(C)c2)cc1C(=O)O
InChIInChI=1S/C16H14O4/c1-10-4-3-5-11(8-10)15(17)12-6-7-14(20-2)13(9-12)16(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyGLPFPUFWFLLELW-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.93
Rot. Bonds4

About 2-methoxy-5-(3-methylbenzoyl)benzoic acid

2-methoxy-5-(3-methylbenzoyl)benzoic acid (PubChem CID 22917219) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-methoxy-5-(3-methylbenzoyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(3-methylbenzoyl)benzoic acid
PubChem CID22917219
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-methoxy-5-(3-methylbenzoyl)benzoic acid
SMILESCOc1ccc(C(=O)c2cccc(C)c2)cc1C(=O)O
InChIInChI=1S/C16H14O4/c1-10-4-3-5-11(8-10)15(17)12-6-7-14(20-2)13(9-12)16(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyGLPFPUFWFLLELW-UHFFFAOYSA-N
XLogP2.93
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-carboxybenzoyl)-2-methoxybenzoic acid
CID 71390290
bis(3-methylphenyl)methanone
CID 17848
(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 43161114
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
2-(3-methylbenzoyl)benzoic acid
CID 2801746
(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid
CID 19421560
3-methylbenzoic acid
CID 7418
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
5-[(N,3-dimethylanilino)methyl]-2-methoxybenzoic acid
CID 65339079
3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid
CID 130396444
[4-bromo-2-(2,5-dimethoxyphenyl)phenyl]-(3-methylphenyl)methanone
CID 100985241
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-methylbenzoyl)benzoic acid?
The IUPAC name of 2-methoxy-5-(3-methylbenzoyl)benzoic acid (CID 22917219) is 2-methoxy-5-(3-methylbenzoyl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(3-methylbenzoyl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(3-methylbenzoyl)benzoic acid is COc1ccc(C(=O)c2cccc(C)c2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(3-methylbenzoyl)benzoic acid?
The InChIKey is GLPFPUFWFLLELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-10-4-3-5-11(8-10)15(17)12-6-7-14(20-2)13(9-12)16(18)19/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-methoxy-5-(3-methylbenzoyl)benzoic acid?
2-methoxy-5-(3-methylbenzoyl)benzoic acid has a molecular weight of 270.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methylbenzoyl)benzoic acid is sourced from PubChem (CID 22917219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).