1-(3-chlorophenyl)-1-cyclohexylethanol

C14H19ClO — CID 43810110

IUPAC1-(3-chlorophenyl)-1-cyclohexylethanol
SMILESCC(O)(c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H19ClO/c1-14(16,11-6-3-2-4-7-11)12-8-5-9-13(15)10-12/h5,8-11,16H,2-4,6-7H2,1H3
InChIKeyZHFSHHNCMJXSHO-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.13
Rot. Bonds2

About 1-(3-chlorophenyl)-1-cyclohexylethanol

1-(3-chlorophenyl)-1-cyclohexylethanol (PubChem CID 43810110) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-cyclohexylethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-cyclohexylethanol
PubChem CID43810110
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-(3-chlorophenyl)-1-cyclohexylethanol
SMILESCC(O)(c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H19ClO/c1-14(16,11-6-3-2-4-7-11)12-8-5-9-13(15)10-12/h5,8-11,16H,2-4,6-7H2,1H3
InChIKeyZHFSHHNCMJXSHO-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 8268
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CID 6624
Phenaglycodol
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Tris(4-chlorophenyl)methanol
CID 76379
1-Phenylcyclohexanol
CID 15319
Fenpentadiol
CID 85896
4-Chlorobenzhydrol
CID 8401
(2-Chlorophenyl)diphenylmethanol
CID 298659
4-Chloro-2-cyclohexylphenol
CID 83120
1,2-Diphenyl-2-propanol
CID 95356
Proclonol
CID 26450
4-Chloro-2-(1-phenylethyl)phenol
CID 110716

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-cyclohexylethanol?
The IUPAC name of 1-(3-chlorophenyl)-1-cyclohexylethanol (CID 43810110) is 1-(3-chlorophenyl)-1-cyclohexylethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-1-cyclohexylethanol?
The canonical SMILES for 1-(3-chlorophenyl)-1-cyclohexylethanol is CC(O)(c1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-1-cyclohexylethanol?
The InChIKey is ZHFSHHNCMJXSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-14(16,11-6-3-2-4-7-11)12-8-5-9-13(15)10-12/h5,8-11,16H,2-4,6-7H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-cyclohexylethanol?
1-(3-chlorophenyl)-1-cyclohexylethanol has a molecular weight of 238.76 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-cyclohexylethanol is sourced from PubChem (CID 43810110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).