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

C16H15BrO2 — CID 67015622

IUPAC3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrO2/c1-11-4-2-3-5-14(11)15(10-16(18)19)12-6-8-13(17)9-7-12/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyKOMCNZSWRAEXAH-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.36
Rot. Bonds4

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

3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid (PubChem CID 67015622) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
PubChem CID67015622
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrO2/c1-11-4-2-3-5-14(11)15(10-16(18)19)12-6-8-13(17)9-7-12/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyKOMCNZSWRAEXAH-UHFFFAOYSA-N
XLogP4.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one
CID 67015511
3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one
CID 67015677
1-(2-methylphenyl)-1-phenylpentan-3-one
CID 102348296
5-[3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-(cyclopropylmethyl)pyridin-2-one
CID 66669168
(NE)-N-[(4R)-4-(4-bromophenyl)-4-(2-methylphenyl)-1-pyridin-2-ylbutan-2-ylidene]hydroxylamine
CID 58043626
N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine
CID 154041535
N-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-(oxan-4-yl)propylidene]hydroxylamine
CID 78110471
N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine
CID 76671396
1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
CID 63439600
1-bromo-4-[1-(2-methylphenyl)ethyl]benzene
CID 71518832
3-(2-methylphenyl)-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
CID 59132673
5-[C-[(2S)-2-(4-bromophenyl)-2-(2-methylphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-methylpyrimidin-2-one
CID 173006381

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid (CID 67015622) is 3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid is Cc1ccccc1C(CC(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid?
The InChIKey is KOMCNZSWRAEXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-11-4-2-3-5-14(11)15(10-16(18)19)12-6-8-13(17)9-7-12/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of 3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid?
3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid has a molecular weight of 319.20 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 67015622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).