2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid

C14H10BrClO3 — CID 114026544

IUPAC2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(Br)c(C(=O)O)c2)cc1Cl
InChIInChI=1S/C14H10BrClO3/c1-19-13-5-3-9(7-12(13)16)8-2-4-11(15)10(6-8)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyQVDADZXWBGHKFT-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.48
Rot. Bonds3

About 2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid

2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid (PubChem CID 114026544) has the molecular formula C14H10BrClO3 and a molecular weight of 341.59 g/mol. Its IUPAC name is 2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid
PubChem CID114026544
Molecular FormulaC14H10BrClO3
Molecular Weight341.59 g/mol
Exact Mass339.95
IUPAC Name2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(Br)c(C(=O)O)c2)cc1Cl
InChIInChI=1S/C14H10BrClO3/c1-19-13-5-3-9(7-12(13)16)8-2-4-11(15)10(6-8)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyQVDADZXWBGHKFT-UHFFFAOYSA-N
XLogP4.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-4-methoxyphenyl)-2-nitrobenzoic acid
CID 53227527
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82298585
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
3-(3-chloro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82304555
3-(3-chloro-4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324952
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
2-(bromomethyl)-5-chloro-4-methoxybenzoic acid
CID 171020349

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid?
The IUPAC name of 2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid (CID 114026544) is 2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid?
The canonical SMILES for 2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid is COc1ccc(-c2ccc(Br)c(C(=O)O)c2)cc1Cl.
What is the InChIKey of 2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid?
The InChIKey is QVDADZXWBGHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO3/c1-19-13-5-3-9(7-12(13)16)8-2-4-11(15)10(6-8)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid?
2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid has a molecular weight of 341.59 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 114026544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).