1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene

C22H25Cl — CID 67569865

IUPAC1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene
SMILESC/C=C/CC1CCC(c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H25Cl/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h2-3,9-18H,4-8H2,1H3/b3-2+
InChIKeyLEMMMVHXZOLUCQ-NSCUHMNNSA-N
MW324.90 g/mol
LogP7.25
Rot. Bonds4

About 1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene

1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene (PubChem CID 67569865) has the molecular formula C22H25Cl and a molecular weight of 324.90 g/mol. Its IUPAC name is 1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene.

Molecular Properties

Compound Name1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene
PubChem CID67569865
Molecular FormulaC22H25Cl
Molecular Weight324.90 g/mol
Exact Mass324.16
IUPAC Name1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene
SMILESC/C=C/CC1CCC(c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H25Cl/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h2-3,9-18H,4-8H2,1H3/b3-2+
InChIKeyLEMMMVHXZOLUCQ-NSCUHMNNSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.90
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
5-[4-[(E)-but-2-enyl]cyclohexyl]-2-(3,4-dichlorophenyl)pyrimidine
CID 67569946
1-(4-but-2-enylcyclohexyl)-4-[4-(pent-4-enoxymethyl)phenyl]benzene
CID 54215959
1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene
CID 23364861
1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
CID 18341909
1-(4-but-2-enylcyclohexyl)-4-(pent-4-enoxymethyl)benzene
CID 54568154
2-(4-chlorophenyl)-7-[(E)-pent-3-enyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 22044810
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
1,5-bis[4-(4-chlorophenyl)cyclohexyl]pentan-3-one
CID 174614729
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737
1-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-3,5-difluorobenzene-4-ide;yttrium(3+)
CID 23574074
1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54067509

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene?
The IUPAC name of 1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene (CID 67569865) is 1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene.
What is the SMILES notation for 1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene?
The canonical SMILES for 1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene is C/C=C/CC1CCC(c2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene?
The InChIKey is LEMMMVHXZOLUCQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H25Cl/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h2-3,9-18H,4-8H2,1H3/b3-2+.
What are the key properties of 1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene?
1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene has a molecular weight of 324.90 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene is sourced from PubChem (CID 67569865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).