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

C15H13ClO3 — CID 53226268

IUPAC4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2cc(Cl)ccc2C(=O)O)c(C)c1
InChIInChI=1S/C15H13ClO3/c1-9-7-11(19-2)4-6-12(9)14-8-10(16)3-5-13(14)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyHRRDWCHGSMUPMY-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.02
Rot. Bonds3

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

4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid (PubChem CID 53226268) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
PubChem CID53226268
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2cc(Cl)ccc2C(=O)O)c(C)c1
InChIInChI=1S/C15H13ClO3/c1-9-7-11(19-2)4-6-12(9)14-8-10(16)3-5-13(14)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyHRRDWCHGSMUPMY-UHFFFAOYSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
2-chloro-4-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226266
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid
CID 107989750
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid
CID 53226719

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid?
The IUPAC name of 4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid (CID 53226268) is 4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid is COc1ccc(-c2cc(Cl)ccc2C(=O)O)c(C)c1.
What is the InChIKey of 4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid?
The InChIKey is HRRDWCHGSMUPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-9-7-11(19-2)4-6-12(9)14-8-10(16)3-5-13(14)15(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid?
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid has a molecular weight of 276.72 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid is sourced from PubChem (CID 53226268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).