4-(4-hex-2-enoxyphenyl)benzonitrile

C19H19NO — CID 54202434

IUPAC4-(4-hex-2-enoxyphenyl)benzonitrile
SMILESCCCC=CCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h4-13H,2-3,14H2,1H3
InChIKeyPQEPMKBSLVHVNM-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.96
Rot. Bonds6

About 4-(4-hex-2-enoxyphenyl)benzonitrile

4-(4-hex-2-enoxyphenyl)benzonitrile (PubChem CID 54202434) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(4-hex-2-enoxyphenyl)benzonitrile.

Molecular Properties

Compound Name4-(4-hex-2-enoxyphenyl)benzonitrile
PubChem CID54202434
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-(4-hex-2-enoxyphenyl)benzonitrile
SMILESCCCC=CCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h4-13H,2-3,14H2,1H3
InChIKeyPQEPMKBSLVHVNM-UHFFFAOYSA-N
XLogP4.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.96
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-[(E)-hept-3-enoxy]phenyl]benzonitrile
CID 70154203
4-[4-[(E)-but-2-enoxy]phenyl]benzonitrile
CID 70154357
5-[2-[4-[(E)-hex-2-enoxy]phenyl]ethynyl]thiophene-2-carbonitrile
CID 23432281
4-[(E)-but-2-enoxy]benzonitrile
CID 24709745
1-hex-2-enoxy-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 70371844
4-[5-[(E)-pent-2-enoxy]pyrimidin-2-yl]benzonitrile
CID 70153711
4-[5-(4-but-2-enoxyphenyl)pyrimidin-2-yl]benzonitrile;4-[5-(4-pent-2-enoxyphenyl)pyrimidin-2-yl]benzonitrile
CID 162048919
4-[4-[(4-methylphenoxy)methoxy]phenyl]benzonitrile
CID 129203224
4-[5-(4-but-2-enoxyphenyl)pyrimidin-2-yl]benzonitrile
CID 70371810
4-[5-(4-hex-2-enoxycyclohexyl)pyrimidin-2-yl]benzonitrile
CID 70371628
4-[5-[4-[(E)-hex-2-enoxy]cyclohexyl]pyrimidin-2-yl]benzonitrile
CID 70371627
2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole
CID 54384331

Frequently Asked Questions

What is the IUPAC name of 4-(4-hex-2-enoxyphenyl)benzonitrile?
The IUPAC name of 4-(4-hex-2-enoxyphenyl)benzonitrile (CID 54202434) is 4-(4-hex-2-enoxyphenyl)benzonitrile.
What is the SMILES notation for 4-(4-hex-2-enoxyphenyl)benzonitrile?
The canonical SMILES for 4-(4-hex-2-enoxyphenyl)benzonitrile is CCCC=CCOc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-(4-hex-2-enoxyphenyl)benzonitrile?
The InChIKey is PQEPMKBSLVHVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h4-13H,2-3,14H2,1H3.
What are the key properties of 4-(4-hex-2-enoxyphenyl)benzonitrile?
4-(4-hex-2-enoxyphenyl)benzonitrile has a molecular weight of 277.37 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hex-2-enoxyphenyl)benzonitrile is sourced from PubChem (CID 54202434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).