5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid

C16H14Cl2O3 — CID 107515861

IUPAC5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid
SMILESCOc1cc(Cl)c(-c2cc(C(=O)O)c(C)cc2C)cc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-8-4-9(2)11(16(19)20)5-10(8)12-6-14(18)15(21-3)7-13(12)17/h4-7H,1-3H3,(H,19,20)
InChIKeyWAOQSXCICTXLFE-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.98
Rot. Bonds3

About 5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid

5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid (PubChem CID 107515861) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid.

Molecular Properties

Compound Name5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid
PubChem CID107515861
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid
SMILESCOc1cc(Cl)c(-c2cc(C(=O)O)c(C)cc2C)cc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-8-4-9(2)11(16(19)20)5-10(8)12-6-14(18)15(21-3)7-13(12)17/h4-7H,1-3H3,(H,19,20)
InChIKeyWAOQSXCICTXLFE-UHFFFAOYSA-N
XLogP4.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
CID 82288292
4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid
CID 107989851
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
5-fluoro-4-methoxy-2-methylbenzoic acid
CID 84769291
2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid
CID 95481855
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid
CID 114026544
5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
CID 107515684
1-[2-chloro-4-(2,5-dichloro-4-methoxyphenyl)phenyl]ethanone
CID 82778971
2-(bromomethyl)-5-chloro-4-methoxybenzoic acid
CID 171020349
CID 162313209
CID 162313209
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid?
The IUPAC name of 5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid (CID 107515861) is 5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid.
What is the SMILES notation for 5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid?
The canonical SMILES for 5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid is COc1cc(Cl)c(-c2cc(C(=O)O)c(C)cc2C)cc1Cl.
What is the InChIKey of 5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid?
The InChIKey is WAOQSXCICTXLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-8-4-9(2)11(16(19)20)5-10(8)12-6-14(18)15(21-3)7-13(12)17/h4-7H,1-3H3,(H,19,20).
What are the key properties of 5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid?
5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid has a molecular weight of 325.19 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid is sourced from PubChem (CID 107515861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).