4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile

C15H17NO — CID 10900362

IUPAC4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CC2=CCCCC2)cc1
InChIInChI=1S/C15H17NO/c16-11-13-6-8-14(9-7-13)15(17)10-12-4-2-1-3-5-12/h4,6-9,15,17H,1-3,5,10H2
InChIKeyBQTVAGUROKNAFF-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.48
Rot. Bonds3

About 4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile

4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile (PubChem CID 10900362) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile
PubChem CID10900362
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CC2=CCCCC2)cc1
InChIInChI=1S/C15H17NO/c16-11-13-6-8-14(9-7-13)15(17)10-12-4-2-1-3-5-12/h4,6-9,15,17H,1-3,5,10H2
InChIKeyBQTVAGUROKNAFF-UHFFFAOYSA-N
XLogP3.48
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.48
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

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CID 116660033
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2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 116660276
2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol
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4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 28620853
2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol
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4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile
CID 83172812
1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
CID 60697689
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
CID 115481022
4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile
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(2R)-2-(4-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7503312

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile (CID 10900362) is 4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile is N#Cc1ccc(C(O)CC2=CCCCC2)cc1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile?
The InChIKey is BQTVAGUROKNAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c16-11-13-6-8-14(9-7-13)15(17)10-12-4-2-1-3-5-12/h4,6-9,15,17H,1-3,5,10H2.
What are the key properties of 4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile?
4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile has a molecular weight of 227.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 10900362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).