3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid

C16H14BrFO2 — CID 79437082

IUPAC3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(Cc2ccc(F)cc2Br)C(=O)O)c1
InChIInChI=1S/C16H14BrFO2/c1-10-3-2-4-11(7-10)14(16(19)20)8-12-5-6-13(18)9-15(12)17/h2-7,9,14H,8H2,1H3,(H,19,20)
InChIKeyJWJNQYBMYPGPMX-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.31
Rot. Bonds4

About 3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid

3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid (PubChem CID 79437082) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid
PubChem CID79437082
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(Cc2ccc(F)cc2Br)C(=O)O)c1
InChIInChI=1S/C16H14BrFO2/c1-10-3-2-4-11(7-10)14(16(19)20)8-12-5-6-13(18)9-15(12)17/h2-7,9,14H,8H2,1H3,(H,19,20)
InChIKeyJWJNQYBMYPGPMX-UHFFFAOYSA-N
XLogP4.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid
CID 79435789
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455
3-(3-bromo-4-methoxyphenyl)-2-(3-methylphenyl)propanoic acid
CID 79431801
(2S)-5-amino-2-(3-methylphenyl)-5-oxopentanoic acid
CID 176716064
3-(2-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243339
2-(3-methylphenyl)-3-trimethylsilylpropanoic acid
CID 106322983
2-(3-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930828
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
2-[(2-bromo-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propanoic acid
CID 60793370
3-(2-bromo-4-methylphenyl)-2-methylpropanoic acid
CID 83731619

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid (CID 79437082) is 3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid is Cc1cccc(C(Cc2ccc(F)cc2Br)C(=O)O)c1.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid?
The InChIKey is JWJNQYBMYPGPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-10-3-2-4-11(7-10)14(16(19)20)8-12-5-6-13(18)9-15(12)17/h2-7,9,14H,8H2,1H3,(H,19,20).
What are the key properties of 3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid?
3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid has a molecular weight of 337.19 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 79437082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).