2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid

C9H8BrClO3 — CID 84811630

IUPAC2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)c(Br)cc1Cl
InChIInChI=1S/C9H8BrClO3/c1-14-8-2-5(3-9(12)13)6(10)4-7(8)11/h2,4H,3H2,1H3,(H,12,13)
InChIKeyYRDANFBAOKLTDL-UHFFFAOYSA-N
MW279.52 g/mol
LogP2.74
Rot. Bonds3

About 2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid

2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid (PubChem CID 84811630) has the molecular formula C9H8BrClO3 and a molecular weight of 279.52 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
PubChem CID84811630
Molecular FormulaC9H8BrClO3
Molecular Weight279.52 g/mol
Exact Mass277.93
IUPAC Name2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)c(Br)cc1Cl
InChIInChI=1S/C9H8BrClO3/c1-14-8-2-5(3-9(12)13)6(10)4-7(8)11/h2,4H,3H2,1H3,(H,12,13)
InChIKeyYRDANFBAOKLTDL-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-(carboxymethyl)-2-methoxybenzoic acid
CID 67529429
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
2-(2-bromo-4-chloro-6-methoxyphenyl)acetic acid
CID 84811631
2-(bromomethyl)-5-chloro-4-methoxybenzoic acid
CID 171020349
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828
4-(5-chloro-2-ethyl-4-methoxyphenyl)butanoic acid
CID 117395261
2-(5-chloro-4-methoxy-2-nitrophenyl)acetic acid
CID 171003063
2-(3-chloro-2,4,5-trimethoxyphenyl)acetic acid
CID 117406003
2-(5-chloro-2-ethyl-4-methoxyphenyl)-2-oxoacetic acid
CID 117358488
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
2-(4-bromo-2-chloro-5-methylphenyl)acetic acid
CID 121417177

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid (CID 84811630) is 2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid is COc1cc(CC(=O)O)c(Br)cc1Cl.
What is the InChIKey of 2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid?
The InChIKey is YRDANFBAOKLTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO3/c1-14-8-2-5(3-9(12)13)6(10)4-7(8)11/h2,4H,3H2,1H3,(H,12,13).
What are the key properties of 2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid?
2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid has a molecular weight of 279.52 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid is sourced from PubChem (CID 84811630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).