1-bromo-1-(3-chlorophenyl)propan-2-ol

C9H10BrClO — CID 150342170

IUPAC1-bromo-1-(3-chlorophenyl)propan-2-ol
SMILESCC(O)C(Br)c1cccc(Cl)c1
InChIInChI=1S/C9H10BrClO/c1-6(12)9(10)7-3-2-4-8(11)5-7/h2-6,9,12H,1H3
InChIKeyGRYAUWPEEGMICD-UHFFFAOYSA-N
MW249.54 g/mol
LogP3.16
Rot. Bonds2

About 1-bromo-1-(3-chlorophenyl)propan-2-ol

1-bromo-1-(3-chlorophenyl)propan-2-ol (PubChem CID 150342170) has the molecular formula C9H10BrClO and a molecular weight of 249.54 g/mol. Its IUPAC name is 1-bromo-1-(3-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-bromo-1-(3-chlorophenyl)propan-2-ol
PubChem CID150342170
Molecular FormulaC9H10BrClO
Molecular Weight249.54 g/mol
Exact Mass247.96
IUPAC Name1-bromo-1-(3-chlorophenyl)propan-2-ol
SMILESCC(O)C(Br)c1cccc(Cl)c1
InChIInChI=1S/C9H10BrClO/c1-6(12)9(10)7-3-2-4-8(11)5-7/h2-6,9,12H,1H3
InChIKeyGRYAUWPEEGMICD-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-1-(3-chlorophenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chlorophenyl)butan-2-ol
CID 66437186
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
(3-chlorophenyl)methanediol
CID 20679602
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
1-chloro-3-(1,2,3-tribromopropyl)benzene
CID 151882586
5-(3-chlorophenyl)hexane-2,3-diol
CID 83924628
2-bromo-2-(3-chlorophenyl)ethanol
CID 22121388
(3-chlorophenyl)-fluoromethanol
CID 70239224
(1S)-1-(3-chlorophenyl)-1-hydroxy-3-methylbutan-2-one
CID 129386810
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol
CID 165131162

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(3-chlorophenyl)propan-2-ol?
The IUPAC name of 1-bromo-1-(3-chlorophenyl)propan-2-ol (CID 150342170) is 1-bromo-1-(3-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-bromo-1-(3-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-bromo-1-(3-chlorophenyl)propan-2-ol is CC(O)C(Br)c1cccc(Cl)c1.
What is the InChIKey of 1-bromo-1-(3-chlorophenyl)propan-2-ol?
The InChIKey is GRYAUWPEEGMICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-6(12)9(10)7-3-2-4-8(11)5-7/h2-6,9,12H,1H3.
What are the key properties of 1-bromo-1-(3-chlorophenyl)propan-2-ol?
1-bromo-1-(3-chlorophenyl)propan-2-ol has a molecular weight of 249.54 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(3-chlorophenyl)propan-2-ol is sourced from PubChem (CID 150342170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).