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

C16H15BrO2 — CID 79435789

IUPAC3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(Cc2ccccc2Br)C(=O)O)c1
InChIInChI=1S/C16H15BrO2/c1-11-5-4-7-12(9-11)14(16(18)19)10-13-6-2-3-8-15(13)17/h2-9,14H,10H2,1H3,(H,18,19)
InChIKeyMJUSULOZEAYKOW-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.17
Rot. Bonds4

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

3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid (PubChem CID 79435789) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid
PubChem CID79435789
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(Cc2ccccc2Br)C(=O)O)c1
InChIInChI=1S/C16H15BrO2/c1-11-5-4-7-12(9-11)14(16(18)19)10-13-6-2-3-8-15(13)17/h2-9,14H,10H2,1H3,(H,18,19)
InChIKeyMJUSULOZEAYKOW-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid
CID 79437082
3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952778
2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887
3-(3-bromo-4-methoxyphenyl)-2-(3-methylphenyl)propanoic acid
CID 79431801
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
(2S)-5-amino-2-(3-methylphenyl)-5-oxopentanoic acid
CID 176716064
2-(3-methylphenyl)-3-trimethylsilylpropanoic acid
CID 106322983
3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79422919
3-(2-bromophenyl)-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanoic acid
CID 104572509
5,5-dimethyl-2-(3-methylphenyl)hexanoic acid
CID 79437191
(2R)-4-methoxy-2-(3-methylphenyl)-4-oxobutanoic acid
CID 159328207
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid?
The IUPAC name of 3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid (CID 79435789) is 3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid?
The canonical SMILES for 3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid is Cc1cccc(C(Cc2ccccc2Br)C(=O)O)c1.
What is the InChIKey of 3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid?
The InChIKey is MJUSULOZEAYKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-11-5-4-7-12(9-11)14(16(18)19)10-13-6-2-3-8-15(13)17/h2-9,14H,10H2,1H3,(H,18,19).
What are the key properties of 3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid?
3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid has a molecular weight of 319.20 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 79435789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).