3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid

C15H12BrFO2 — CID 79434042

IUPAC3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12BrFO2/c16-12-5-1-10(2-6-12)9-14(15(18)19)11-3-7-13(17)8-4-11/h1-8,14H,9H2,(H,18,19)
InChIKeyGVYDPLANYLVQJU-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.00
Rot. Bonds4

About 3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid

3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid (PubChem CID 79434042) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
PubChem CID79434042
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12BrFO2/c16-12-5-1-10(2-6-12)9-14(15(18)19)11-3-7-13(17)8-4-11/h1-8,14H,9H2,(H,18,19)
InChIKeyGVYDPLANYLVQJU-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-3-(3,5-difluorophenyl)propanoic acid
CID 105404805
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
3-(4-bromophenyl)-2-(5-fluoropyrimidin-2-yl)propanoic acid
CID 104606821
3-[4-(4-bromophenoxy)phenyl]-2-phenylpropanoic acid
CID 20984736
2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930825
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
CID 83066559
3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
CID 83952263
1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene
CID 154714701
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid
CID 79440089

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid (CID 79434042) is 3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid?
The InChIKey is GVYDPLANYLVQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c16-12-5-1-10(2-6-12)9-14(15(18)19)11-3-7-13(17)8-4-11/h1-8,14H,9H2,(H,18,19).
What are the key properties of 3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid?
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid has a molecular weight of 323.16 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 79434042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).