1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol

C15H18BrClO — CID 116660281

IUPAC1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol
SMILESOC(CC1=CCCCC1)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H18BrClO/c16-13-7-6-12(15(17)10-13)9-14(18)8-11-4-2-1-3-5-11/h4,6-7,10,14,18H,1-3,5,8-9H2
InChIKeyDTYFHYLECWCWQI-UHFFFAOYSA-N
MW329.67 g/mol
LogP4.90
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol

1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol (PubChem CID 116660281) has the molecular formula C15H18BrClO and a molecular weight of 329.67 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol
PubChem CID116660281
Molecular FormulaC15H18BrClO
Molecular Weight329.67 g/mol
Exact Mass328.02
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol
SMILESOC(CC1=CCCCC1)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H18BrClO/c16-13-7-6-12(15(17)10-13)9-14(18)8-11-4-2-1-3-5-11/h4,6-7,10,14,18H,1-3,5,8-9H2
InChIKeyDTYFHYLECWCWQI-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.67
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol
CID 116660061
2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
CID 106640010
1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660033
1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol
CID 116660106
1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126618
1-(cyclohexen-1-yl)-4-methylpentan-2-ol
CID 12869932
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylsulfanylpropan-2-ol
CID 113471219
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(4-bromo-2-chlorophenyl)-3,5-dimethylhexan-2-ol
CID 114200534

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol (CID 116660281) is 1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol is OC(CC1=CCCCC1)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol?
The InChIKey is DTYFHYLECWCWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClO/c16-13-7-6-12(15(17)10-13)9-14(18)8-11-4-2-1-3-5-11/h4,6-7,10,14,18H,1-3,5,8-9H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol?
1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol has a molecular weight of 329.67 g/mol, XLogP of 4.90, 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-(cyclohexen-1-yl)propan-2-ol is sourced from PubChem (CID 116660281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).