4-(4-prop-2-enoxycyclohexyl)benzonitrile

C16H19NO — CID 15051352

IUPAC4-(4-prop-2-enoxycyclohexyl)benzonitrile
SMILESC=CCOC1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H19NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h2-6,15-16H,1,7-11H2
InChIKeyBNMRMLYEGXGTDD-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.79
Rot. Bonds4

About 4-(4-prop-2-enoxycyclohexyl)benzonitrile

4-(4-prop-2-enoxycyclohexyl)benzonitrile (PubChem CID 15051352) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(4-prop-2-enoxycyclohexyl)benzonitrile.

Molecular Properties

Compound Name4-(4-prop-2-enoxycyclohexyl)benzonitrile
PubChem CID15051352
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(4-prop-2-enoxycyclohexyl)benzonitrile
SMILESC=CCOC1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H19NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h2-6,15-16H,1,7-11H2
InChIKeyBNMRMLYEGXGTDD-UHFFFAOYSA-N
XLogP3.79
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(pent-4-enoxymethyl)cyclohexyl]benzonitrile
CID 18651078
4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile
CID 18651101
4-[4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]cyclohexyl]benzonitrile
CID 70442568
4-[4-(but-3-enoxymethyl)cyclohexyl]benzonitrile
CID 15051351
1-(ethenoxymethoxy)-4-[2-[4-(4-prop-2-enoxycyclohexyl)phenyl]ethynyl]benzene
CID 58471701
4-[4-(4-decoxycyclohexyl)phenyl]benzonitrile
CID 21318459
4-[4-(oxiran-2-ylmethoxymethoxy)cyclohexyl]benzonitrile
CID 59790548
4-[4-(3-trichlorosilylpropoxy)cyclohexyl]benzonitrile
CID 18612138
4-[4-(3-ethenoxypropyl)cyclohexyl]benzonitrile
CID 18651102
4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzonitrile
CID 19739052
4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile
CID 54020861
4-[4-[4-[4-(oxiran-2-ylmethoxy)cyclohexyl]cyclohexyl]phenyl]benzonitrile;4-[4-[4-[4-(oxiran-2-ylmethyl)cyclohexyl]cyclohexyl]phenyl]benzonitrile
CID 91582864

Frequently Asked Questions

What is the IUPAC name of 4-(4-prop-2-enoxycyclohexyl)benzonitrile?
The IUPAC name of 4-(4-prop-2-enoxycyclohexyl)benzonitrile (CID 15051352) is 4-(4-prop-2-enoxycyclohexyl)benzonitrile.
What is the SMILES notation for 4-(4-prop-2-enoxycyclohexyl)benzonitrile?
The canonical SMILES for 4-(4-prop-2-enoxycyclohexyl)benzonitrile is C=CCOC1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-(4-prop-2-enoxycyclohexyl)benzonitrile?
The InChIKey is BNMRMLYEGXGTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h2-6,15-16H,1,7-11H2.
What are the key properties of 4-(4-prop-2-enoxycyclohexyl)benzonitrile?
4-(4-prop-2-enoxycyclohexyl)benzonitrile has a molecular weight of 241.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-2-enoxycyclohexyl)benzonitrile is sourced from PubChem (CID 15051352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).