2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol

C17H19NO — CID 116660148

IUPAC2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol
SMILESOC(CC1=CCCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C17H19NO/c19-17(11-13-5-2-1-3-6-13)15-8-9-16-14(12-15)7-4-10-18-16/h4-5,7-10,12,17,19H,1-3,6,11H2
InChIKeyBKEBBDCJQMDNSA-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.16
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol

2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol (PubChem CID 116660148) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol
PubChem CID116660148
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol
SMILESOC(CC1=CCCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C17H19NO/c19-17(11-13-5-2-1-3-6-13)15-8-9-16-14(12-15)7-4-10-18-16/h4-5,7-10,12,17,19H,1-3,6,11H2
InChIKeyBKEBBDCJQMDNSA-UHFFFAOYSA-N
XLogP4.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
CID 63095266
1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660033
2-cycloheptyl-1-quinolin-6-ylethanol
CID 115826801
2-(furan-3-yl)-1-quinolin-6-ylethanol
CID 83172665
3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
CID 144811689
1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine
CID 106652944
2-(5-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 103047629
1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660093
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile
CID 10900362
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol?
The IUPAC name of 2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol (CID 116660148) is 2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol is OC(CC1=CCCCC1)c1ccc2ncccc2c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol?
The InChIKey is BKEBBDCJQMDNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17(11-13-5-2-1-3-6-13)15-8-9-16-14(12-15)7-4-10-18-16/h4-5,7-10,12,17,19H,1-3,6,11H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol?
2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol has a molecular weight of 253.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol is sourced from PubChem (CID 116660148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).