2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid

C15H13ClO3 — CID 53226719

IUPAC2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2cc(C)cc(Cl)c2)c(C(=O)O)c1
InChIInChI=1S/C15H13ClO3/c1-9-5-10(7-11(16)6-9)13-4-3-12(19-2)8-14(13)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyPFBKBQYRNABGKB-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.02
Rot. Bonds3

About 2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid

2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid (PubChem CID 53226719) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid
PubChem CID53226719
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2cc(C)cc(Cl)c2)c(C(=O)O)c1
InChIInChI=1S/C15H13ClO3/c1-9-5-10(7-11(16)6-9)13-4-3-12(19-2)8-14(13)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyPFBKBQYRNABGKB-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

2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid
CID 53226704
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
2-(furan-3-yl)-5-methoxybenzoic acid
CID 63948118
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
2-(2-chloro-4,5-difluorophenyl)-5-methoxybenzoic acid
CID 107476776
2-(4-fluoro-3-methoxycarbonylphenyl)-5-methoxybenzoic acid
CID 53228031
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
2-chloro-4-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226266
5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405469

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid?
The IUPAC name of 2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid (CID 53226719) is 2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid is COc1ccc(-c2cc(C)cc(Cl)c2)c(C(=O)O)c1.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid?
The InChIKey is PFBKBQYRNABGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-9-5-10(7-11(16)6-9)13-4-3-12(19-2)8-14(13)15(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid?
2-(3-chloro-5-methylphenyl)-5-methoxybenzoic 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 2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid is sourced from PubChem (CID 53226719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).