3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid

C10H10BrClO2 — CID 83745272

IUPAC3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(Br)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H10BrClO2/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyWBLANOFAMYQMKZ-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.37
Rot. Bonds3

About 3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid

3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid (PubChem CID 83745272) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid
PubChem CID83745272
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(Br)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H10BrClO2/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyWBLANOFAMYQMKZ-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid
CID 146013512
3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
CID 83703696
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
(2R)-2-[(4-bromo-3-chlorophenyl)methylamino]-4-methylpentanoic acid
CID 122037439
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
methyl 3-(4-bromo-3-chlorophenyl)-2-chloropropanoate
CID 107618014
3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
CID 117425393
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565
3-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylpropanoic acid
CID 117416193
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid (CID 83745272) is 3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid is CC(Cc1ccc(Br)c(Cl)c1)C(=O)O.
What is the InChIKey of 3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid?
The InChIKey is WBLANOFAMYQMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3,(H,13,14).
What are the key properties of 3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid?
3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid has a molecular weight of 277.55 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 83745272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).