2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol

C14H19NO — CID 116660276

IUPAC2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)CC2=CCCCC2)cn1
InChIInChI=1S/C14H19NO/c1-11-7-8-13(10-15-11)14(16)9-12-5-3-2-4-6-12/h5,7-8,10,14,16H,2-4,6,9H2,1H3
InChIKeyNVSGOALQLXREKQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.31
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol

2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol (PubChem CID 116660276) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol
PubChem CID116660276
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)CC2=CCCCC2)cn1
InChIInChI=1S/C14H19NO/c1-11-7-8-13(10-15-11)14(16)9-12-5-3-2-4-6-12/h5,7-8,10,14,16H,2-4,6,9H2,1H3
InChIKeyNVSGOALQLXREKQ-UHFFFAOYSA-N
XLogP3.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.31
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

1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660093
1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660033
2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol
CID 116660148
4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile
CID 10900362
2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 116660154
2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol
CID 116660155
2-(cyclohexylamino)-1-(6-methyl-3-pyridinyl)ethanol
CID 56694973
2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 116660264
2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747092
1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
CID 63155413
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104823085
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 63156001

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol (CID 116660276) is 2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol is Cc1ccc(C(O)CC2=CCCCC2)cn1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol?
The InChIKey is NVSGOALQLXREKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-7-8-13(10-15-11)14(16)9-12-5-3-2-4-6-12/h5,7-8,10,14,16H,2-4,6,9H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol?
2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol has a molecular weight of 217.31 g/mol, XLogP of 3.31, 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-(6-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 116660276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).