1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol

C12H14BrClO — CID 115810893

IUPAC1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
SMILESOC(CCC1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClO/c13-9-4-5-10(11(14)7-9)12(15)6-3-8-1-2-8/h4-5,7-8,12,15H,1-3,6H2
InChIKeyCMMVFBNEQBIJEM-UHFFFAOYSA-N
MW289.60 g/mol
LogP4.33
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol

1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol (PubChem CID 115810893) has the molecular formula C12H14BrClO and a molecular weight of 289.60 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
PubChem CID115810893
Molecular FormulaC12H14BrClO
Molecular Weight289.60 g/mol
Exact Mass287.99
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
SMILESOC(CCC1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClO/c13-9-4-5-10(11(14)7-9)12(15)6-3-8-1-2-8/h4-5,7-8,12,15H,1-3,6H2
InChIKeyCMMVFBNEQBIJEM-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115566287
1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol
CID 82776674
1-(4-bromo-2-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 82781078
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 82777715
1-(4-bromo-2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 82775693
1-(4-bromo-2-chlorophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 82780475
1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 82781081
(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82781390
3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol
CID 115810911
1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol
CID 82781389
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol (CID 115810893) is 1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol is OC(CCC1CC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol?
The InChIKey is CMMVFBNEQBIJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClO/c13-9-4-5-10(11(14)7-9)12(15)6-3-8-1-2-8/h4-5,7-8,12,15H,1-3,6H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol has a molecular weight of 289.60 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol is sourced from PubChem (CID 115810893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).