3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid

C10H10BrClO2 — CID 84714681

IUPAC3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
SMILESCc1c(Cl)cc(Br)cc1CCC(=O)O
InChIInChI=1S/C10H10BrClO2/c1-6-7(2-3-10(13)14)4-8(11)5-9(6)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyIUWJKNJQDASISV-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.43
Rot. Bonds3

About 3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid

3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid (PubChem CID 84714681) has the molecular formula C10H10BrClO2 and a molecular weight of 277.54 g/mol. Its IUPAC name is 3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
PubChem CID84714681
Molecular FormulaC10H10BrClO2
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
SMILESCc1c(Cl)cc(Br)cc1CCC(=O)O
InChIInChI=1S/C10H10BrClO2/c1-6-7(2-3-10(13)14)4-8(11)5-9(6)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyIUWJKNJQDASISV-UHFFFAOYSA-N
XLogP3.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 142920745
3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
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3-(4-bromo-2-methylphenyl)propanoic acid
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2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid
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3-(4-bromo-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84814001
3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
CID 84784993
3-(2-bromo-5-chloro-4-fluorophenyl)propanoic acid
CID 156859397
4-(4-bromo-2-chloro-6-methylphenoxy)butanoic acid
CID 43351509
3-amino-3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
CID 117472465
3-(5-bromo-2-sulfanylphenyl)propanoic acid
CID 130792995
3-(2-carboxyethyl)-4,5-dimethylbenzoic acid
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2-(3-bromo-5-chloro-4-methylphenyl)acetic acid
CID 171005978

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid?
The IUPAC name of 3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid (CID 84714681) is 3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid is Cc1c(Cl)cc(Br)cc1CCC(=O)O.
What is the InChIKey of 3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid?
The InChIKey is IUWJKNJQDASISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-6-7(2-3-10(13)14)4-8(11)5-9(6)12/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid?
3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid has a molecular weight of 277.54 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid is sourced from PubChem (CID 84714681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).