1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol

C14H18BrClO — CID 66156275

IUPAC1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
SMILESOC(CC1CCCCC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H18BrClO/c15-13-7-6-11(16)9-12(13)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2
InChIKeyZDNMZPQCWITOFA-UHFFFAOYSA-N
MW317.65 g/mol
LogP5.11
Rot. Bonds3

About 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol

1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol (PubChem CID 66156275) has the molecular formula C14H18BrClO and a molecular weight of 317.65 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
PubChem CID66156275
Molecular FormulaC14H18BrClO
Molecular Weight317.65 g/mol
Exact Mass316.02
IUPAC Name1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
SMILESOC(CC1CCCCC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H18BrClO/c15-13-7-6-11(16)9-12(13)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2
InChIKeyZDNMZPQCWITOFA-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.65
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-chlorophenyl)-2-cyclopropylethanol
CID 112630970
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
CID 63083124
1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol
CID 115802584
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
1-(4-bromo-2,5-dimethylphenyl)-2-cycloheptylethanol
CID 114458586
azepan-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 66157676
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene
CID 55198146
1-(4-bromo-3-methylphenyl)-2-cyclohexylethanol
CID 81447995
1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine
CID 66158422

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol (CID 66156275) is 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol is OC(CC1CCCCC1)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol?
The InChIKey is ZDNMZPQCWITOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO/c15-13-7-6-11(16)9-12(13)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol?
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol has a molecular weight of 317.65 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol is sourced from PubChem (CID 66156275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).