1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol

C14H17ClO — CID 116660033

IUPAC1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
SMILESOC(CC1=CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h4,6-9,14,16H,1-3,5,10H2
InChIKeyLACQWJPIAYGJTP-UHFFFAOYSA-N
MW236.74 g/mol
LogP4.26
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol

1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol (PubChem CID 116660033) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
PubChem CID116660033
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
SMILESOC(CC1=CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h4,6-9,14,16H,1-3,5,10H2
InChIKeyLACQWJPIAYGJTP-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 54.26
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-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660093
4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile
CID 10900362
1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene
CID 46176896
2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 116660276
1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol
CID 114153912
2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol
CID 116660148
(2R)-1,1,1-trichloro-3-(cyclohexen-1-yl)propan-2-ol
CID 13238455
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 116660264
[1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethyl]hydrazine
CID 105270128
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol (CID 116660033) is 1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol is OC(CC1=CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol?
The InChIKey is LACQWJPIAYGJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h4,6-9,14,16H,1-3,5,10H2.
What are the key properties of 1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol?
1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol has a molecular weight of 236.74 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol is sourced from PubChem (CID 116660033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).