3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid

C15H11BrCl2O2 — CID 22218648

IUPAC3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid
SMILESO=C(O)CC(c1ccc(Cl)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C15H11BrCl2O2/c16-12-4-2-1-3-10(12)11(8-15(19)20)9-5-6-13(17)14(18)7-9/h1-7,11H,8H2,(H,19,20)
InChIKeyWMCPDXTYXGXCLM-UHFFFAOYSA-N
MW374.06 g/mol
LogP5.36
Rot. Bonds4

About 3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid

3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid (PubChem CID 22218648) has the molecular formula C15H11BrCl2O2 and a molecular weight of 374.06 g/mol. Its IUPAC name is 3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid
PubChem CID22218648
Molecular FormulaC15H11BrCl2O2
Molecular Weight374.06 g/mol
Exact Mass371.93
IUPAC Name3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid
SMILESO=C(O)CC(c1ccc(Cl)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C15H11BrCl2O2/c16-12-4-2-1-3-10(12)11(8-15(19)20)9-5-6-13(17)14(18)7-9/h1-7,11H,8H2,(H,19,20)
InChIKeyWMCPDXTYXGXCLM-UHFFFAOYSA-N
XLogP5.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.06
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
CID 3018921
(3S)-3-(3,4-dichlorophenyl)-3-phenoxypropanoic acid
CID 145185611
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492861
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591
3-[2-(3,4-dichlorophenyl)propanoylamino]butanoic acid
CID 119221515
3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
CID 67015622
3-(2-bromophenyl)-3-cyanopropanoic acid
CID 82298706
3-(2-bromophenyl)-3-methoxypropanoic acid
CID 83844316
(3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid
CID 78961882
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
CID 26249036

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid?
The IUPAC name of 3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid (CID 22218648) is 3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid.
What is the SMILES notation for 3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid?
The canonical SMILES for 3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid is O=C(O)CC(c1ccc(Cl)c(Cl)c1)c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid?
The InChIKey is WMCPDXTYXGXCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2O2/c16-12-4-2-1-3-10(12)11(8-15(19)20)9-5-6-13(17)14(18)7-9/h1-7,11H,8H2,(H,19,20).
What are the key properties of 3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid?
3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid has a molecular weight of 374.06 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-3-(3,4-dichlorophenyl)propanoic acid is sourced from PubChem (CID 22218648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).