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

C10H11BrO2 — CID 69202839

IUPAC3-(4-bromo-2-methylphenyl)propanoic acid
SMILESCc1cc(Br)ccc1CCC(=O)O
InChIInChI=1S/C10H11BrO2/c1-7-6-9(11)4-2-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKeyRATJZPRBPBDIQH-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.77
Rot. Bonds3

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

3-(4-bromo-2-methylphenyl)propanoic acid (PubChem CID 69202839) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenyl)propanoic acid
PubChem CID69202839
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name3-(4-bromo-2-methylphenyl)propanoic acid
SMILESCc1cc(Br)ccc1CCC(=O)O
InChIInChI=1S/C10H11BrO2/c1-7-6-9(11)4-2-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKeyRATJZPRBPBDIQH-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554
3-[[2-(4-bromo-2-methylphenyl)acetyl]-methylamino]propanoic acid
CID 120525052
3-[5-bromo-2-(fluoromethyl)phenyl]propanoic acid
CID 134622221
3-(5-bromo-2-sulfanylphenyl)propanoic acid
CID 130792995
3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84709646
7-[[2-(4-bromo-2-methylphenyl)acetyl]amino]heptanoic acid
CID 120524083
2-[(4-bromo-2-methylphenyl)methylsulfinyl]acetic acid
CID 122156890
4-bromo-1-(2-iodoethyl)-2-methylbenzene
CID 66577923
3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 103083488
4-[2-(5-bromo-2-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218797
1-(4-bromo-2-methylphenyl)-3-sulfanylpropan-2-one
CID 58139329

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenyl)propanoic acid?
The IUPAC name of 3-(4-bromo-2-methylphenyl)propanoic acid (CID 69202839) is 3-(4-bromo-2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-bromo-2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(4-bromo-2-methylphenyl)propanoic acid is Cc1cc(Br)ccc1CCC(=O)O.
What is the InChIKey of 3-(4-bromo-2-methylphenyl)propanoic acid?
The InChIKey is RATJZPRBPBDIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7-6-9(11)4-2-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13).
What are the key properties of 3-(4-bromo-2-methylphenyl)propanoic acid?
3-(4-bromo-2-methylphenyl)propanoic acid has a molecular weight of 243.10 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenyl)propanoic acid is sourced from PubChem (CID 69202839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).