3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol

C16H23ClO — CID 116696284

IUPAC3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol
SMILESCC1CCCC(C(O)(CCCl)c2ccccc2)C1
InChIInChI=1S/C16H23ClO/c1-13-6-5-9-15(12-13)16(18,10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15,18H,5-6,9-12H2,1H3
InChIKeyFIZNIDYQGURBKE-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.33
Rot. Bonds4

About 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol

3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol (PubChem CID 116696284) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol
PubChem CID116696284
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol
SMILESCC1CCCC(C(O)(CCCl)c2ccccc2)C1
InChIInChI=1S/C16H23ClO/c1-13-6-5-9-15(12-13)16(18,10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15,18H,5-6,9-12H2,1H3
InChIKeyFIZNIDYQGURBKE-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.33
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

1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
1-amino-4-(3-methylcyclohexyl)sulfanyl-2-phenylbutan-2-ol
CID 116696101
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
CID 22155872
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
1-cyclohexyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 129318825
1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol
CID 134827932
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
CID 139079570
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
The IUPAC name of 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol (CID 116696284) is 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol is CC1CCCC(C(O)(CCCl)c2ccccc2)C1.
What is the InChIKey of 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
The InChIKey is FIZNIDYQGURBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-13-6-5-9-15(12-13)16(18,10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15,18H,5-6,9-12H2,1H3.
What are the key properties of 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol has a molecular weight of 266.81 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 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 116696284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).