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

C16H14BrFO2 — CID 79701593

IUPAC3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(Cc1cc(F)cc(Br)c1)C(=O)O
InChIInChI=1S/C16H14BrFO2/c1-10-4-2-3-5-14(10)15(16(19)20)8-11-6-12(17)9-13(18)7-11/h2-7,9,15H,8H2,1H3,(H,19,20)
InChIKeyZHJUOHHKICNBLP-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.31
Rot. Bonds4

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

3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid (PubChem CID 79701593) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid
PubChem CID79701593
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(Cc1cc(F)cc(Br)c1)C(=O)O
InChIInChI=1S/C16H14BrFO2/c1-10-4-2-3-5-14(10)15(16(19)20)8-11-6-12(17)9-13(18)7-11/h2-7,9,15H,8H2,1H3,(H,19,20)
InChIKeyZHJUOHHKICNBLP-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

2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
2-(3-bromo-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115822817
2-[(3-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)propanoic acid
CID 79698980
2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
2-(4-bromophenyl)-3-(3,5-difluorophenyl)propanoic acid
CID 105404805
1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 79708482
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 83955681
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol
CID 79701389

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid (CID 79701593) is 3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid is Cc1ccccc1C(Cc1cc(F)cc(Br)c1)C(=O)O.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid?
The InChIKey is ZHJUOHHKICNBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-10-4-2-3-5-14(10)15(16(19)20)8-11-6-12(17)9-13(18)7-11/h2-7,9,15H,8H2,1H3,(H,19,20).
What are the key properties of 3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid?
3-(3-bromo-5-fluorophenyl)-2-(2-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-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 79701593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).