5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid

C15H11ClO5 — CID 53228184

IUPAC5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C15H11ClO5/c1-21-11-5-9(4-10(6-11)14(17)18)8-2-3-13(16)12(7-8)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyVWNHOHUOBJIVKL-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.41
Rot. Bonds4

About 5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid

5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid (PubChem CID 53228184) has the molecular formula C15H11ClO5 and a molecular weight of 306.70 g/mol. Its IUPAC name is 5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
PubChem CID53228184
Molecular FormulaC15H11ClO5
Molecular Weight306.70 g/mol
Exact Mass306.03
IUPAC Name5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C15H11ClO5/c1-21-11-5-9(4-10(6-11)14(17)18)8-2-3-13(16)12(7-8)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyVWNHOHUOBJIVKL-UHFFFAOYSA-N
XLogP3.41
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-5-methoxybenzoic acid
CID 53227681
2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 56715762
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
3-(3-aminophenyl)-5-methoxybenzoic acid
CID 53224920
3-methoxy-5-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53228977
3-(4-chloro-3-methoxyphenyl)-5-nitrobenzoic acid
CID 115512523
3-(2,6-difluorophenyl)-5-methoxybenzoic acid
CID 53225965
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid
CID 53228156
3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid
CID 57248171
3-[4-(dimethylsulfamoyl)phenyl]-5-methoxybenzoic acid
CID 53228822
4-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53218398

Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid?
The IUPAC name of 5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid (CID 53228184) is 5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid.
What is the SMILES notation for 5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid?
The canonical SMILES for 5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid is COc1cc(C(=O)O)cc(-c2ccc(Cl)c(C(=O)O)c2)c1.
What is the InChIKey of 5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid?
The InChIKey is VWNHOHUOBJIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO5/c1-21-11-5-9(4-10(6-11)14(17)18)8-2-3-13(16)12(7-8)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid?
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid has a molecular weight of 306.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid is sourced from PubChem (CID 53228184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).