2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile

C19H25NO — CID 19899700

IUPAC2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile
SMILESC1=COCC1.CCC1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19N.C4H6O/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15;1-2-4-5-3-1/h5-6,9-10,12,14H,2-4,7-8H2,1H3;1,3H,2,4H2
InChIKeyIFEZKEBNKIXSEL-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.16
Rot. Bonds2

About 2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile

2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile (PubChem CID 19899700) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile.

Molecular Properties

Compound Name2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile
PubChem CID19899700
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile
SMILESC1=COCC1.CCC1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19N.C4H6O/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15;1-2-4-5-3-1/h5-6,9-10,12,14H,2-4,7-8H2,1H3;1,3H,2,4H2
InChIKeyIFEZKEBNKIXSEL-UHFFFAOYSA-N
XLogP5.16
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzonitrile
CID 19099062
4-[4-(2,2-dimethylpropyl)cyclohexyl]benzonitrile
CID 66584989
4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 67595253
4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 139659671
4-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 67707796
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile
CID 67925507
4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile
CID 67894424
4-[4-(3-methylpentyl)cyclohexyl]benzonitrile
CID 22755305
4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzonitrile
CID 59875355
4-[4-(3-hept-4-enoxypropyl)cyclohexyl]benzonitrile
CID 54041694
4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzonitrile
CID 19739052

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile?
The IUPAC name of 2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile (CID 19899700) is 2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile.
What is the SMILES notation for 2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile?
The canonical SMILES for 2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile is C1=COCC1.CCC1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile?
The InChIKey is IFEZKEBNKIXSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.C4H6O/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15;1-2-4-5-3-1/h5-6,9-10,12,14H,2-4,7-8H2,1H3;1,3H,2,4H2.
What are the key properties of 2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile?
2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile has a molecular weight of 283.42 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran;4-(4-ethylcyclohexyl)benzonitrile is sourced from PubChem (CID 19899700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).