3-bromo-2-methyl-2-phenylpropanoic acid

C10H11BrO2 — CID 131843257

IUPAC3-bromo-2-methyl-2-phenylpropanoic acid
SMILESCC(CBr)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H11BrO2/c1-10(7-11,9(12)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)
InChIKeyWVDLJCHEBCJROB-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.42
Rot. Bonds3

About 3-bromo-2-methyl-2-phenylpropanoic acid

3-bromo-2-methyl-2-phenylpropanoic acid (PubChem CID 131843257) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-bromo-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-bromo-2-methyl-2-phenylpropanoic acid
PubChem CID131843257
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name3-bromo-2-methyl-2-phenylpropanoic acid
SMILESCC(CBr)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H11BrO2/c1-10(7-11,9(12)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)
InChIKeyWVDLJCHEBCJROB-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-bromo-2-methyl-1,2-diphenylpropan-1-one
CID 139043134
3-bromo-N,2-dimethyl-2-phenylpropanamide
CID 154114907
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
CID 62270669
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
2-methyl-3-phenoxy-2-phenylpropanoic acid
CID 174875676
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
2-methyl-2-phenyldecanoic acid
CID 154177551

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-bromo-2-methyl-2-phenylpropanoic acid (CID 131843257) is 3-bromo-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-bromo-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-bromo-2-methyl-2-phenylpropanoic acid is CC(CBr)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-bromo-2-methyl-2-phenylpropanoic acid?
The InChIKey is WVDLJCHEBCJROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-10(7-11,9(12)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13).
What are the key properties of 3-bromo-2-methyl-2-phenylpropanoic acid?
3-bromo-2-methyl-2-phenylpropanoic acid has a molecular weight of 243.10 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 131843257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).