6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol

C18H25ClO — CID 53260666

IUPAC6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol
SMILESOCCCCCC(C1=CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClO/c19-17-12-10-16(11-13-17)18(9-5-2-6-14-20)15-7-3-1-4-8-15/h7,10-13,18,20H,1-6,8-9,14H2
InChIKeyMOAFPLBESKAOHM-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.48
Rot. Bonds7

About 6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol

6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol (PubChem CID 53260666) has the molecular formula C18H25ClO and a molecular weight of 292.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol
PubChem CID53260666
Molecular FormulaC18H25ClO
Molecular Weight292.85 g/mol
Exact Mass292.16
IUPAC Name6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol
SMILESOCCCCCC(C1=CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClO/c19-17-12-10-16(11-13-17)18(9-5-2-6-14-20)15-7-3-1-4-8-15/h7,10-13,18,20H,1-6,8-9,14H2
InChIKeyMOAFPLBESKAOHM-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol?
The IUPAC name of 6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol (CID 53260666) is 6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol?
The canonical SMILES for 6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol is OCCCCCC(C1=CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol?
The InChIKey is MOAFPLBESKAOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO/c19-17-12-10-16(11-13-17)18(9-5-2-6-14-20)15-7-3-1-4-8-15/h7,10-13,18,20H,1-6,8-9,14H2.
What are the key properties of 6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol?
6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol has a molecular weight of 292.85 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol is sourced from PubChem (CID 53260666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).