2-(4-methoxybenzoyl)-4-methylbenzoic acid

C16H14O4 — CID 69212990

IUPAC2-(4-methoxybenzoyl)-4-methylbenzoic acid
SMILESCOc1ccc(C(=O)c2cc(C)ccc2C(=O)O)cc1
InChIInChI=1S/C16H14O4/c1-10-3-8-13(16(18)19)14(9-10)15(17)11-4-6-12(20-2)7-5-11/h3-9H,1-2H3,(H,18,19)
InChIKeyJNNIROKKMUDKNG-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-methoxybenzoyl)-4-methylbenzoic acid

2-(4-methoxybenzoyl)-4-methylbenzoic acid (PubChem CID 69212990) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(4-methoxybenzoyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-methoxybenzoyl)-4-methylbenzoic acid
PubChem CID69212990
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-(4-methoxybenzoyl)-4-methylbenzoic acid
SMILESCOc1ccc(C(=O)c2cc(C)ccc2C(=O)O)cc1
InChIInChI=1S/C16H14O4/c1-10-3-8-13(16(18)19)14(9-10)15(17)11-4-6-12(20-2)7-5-11/h3-9H,1-2H3,(H,18,19)
InChIKeyJNNIROKKMUDKNG-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

[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone
CID 58858848
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybenzoyl)-4-methylbenzoic acid?
The IUPAC name of 2-(4-methoxybenzoyl)-4-methylbenzoic acid (CID 69212990) is 2-(4-methoxybenzoyl)-4-methylbenzoic acid.
What is the SMILES notation for 2-(4-methoxybenzoyl)-4-methylbenzoic acid?
The canonical SMILES for 2-(4-methoxybenzoyl)-4-methylbenzoic acid is COc1ccc(C(=O)c2cc(C)ccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxybenzoyl)-4-methylbenzoic acid?
The InChIKey is JNNIROKKMUDKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-10-3-8-13(16(18)19)14(9-10)15(17)11-4-6-12(20-2)7-5-11/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-(4-methoxybenzoyl)-4-methylbenzoic acid?
2-(4-methoxybenzoyl)-4-methylbenzoic 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-(4-methoxybenzoyl)-4-methylbenzoic acid is sourced from PubChem (CID 69212990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).