1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane

C25H34 — CID 145009719

IUPAC1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
SMILESC=Cc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)cc1.CCC
InChIInChI=1S/C22H26.C3H8/c1-3-17-5-9-19(10-6-17)21-13-15-22(16-14-21)20-11-7-18(4-2)8-12-20;1-3-2/h3,5-6,9-10,13-16,18,20H,1,4,7-8,11-12H2,2H3;3H2,1-2H3
InChIKeyVURUOLYJINAMIS-UHFFFAOYSA-N
MW334.55 g/mol
LogP8.10
Rot. Bonds4

About 1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane

1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane (PubChem CID 145009719) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane.

Molecular Properties

Compound Name1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
PubChem CID145009719
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
SMILESC=Cc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)cc1.CCC
InChIInChI=1S/C22H26.C3H8/c1-3-17-5-9-19(10-6-17)21-13-15-22(16-14-21)20-11-7-18(4-2)8-12-20;1-3-2/h3,5-6,9-10,13-16,18,20H,1,4,7-8,11-12H2,2H3;3H2,1-2H3
InChIKeyVURUOLYJINAMIS-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethenyl-6-[4-(4-ethylcyclohexyl)phenyl]naphthalene
CID 139862037
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
1-cyclobutyl-4-ethenylbenzene;pentane
CID 144867971
1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599
1-cyclohexyl-4-ethenylbenzene
CID 21225537
(4-ethenylphenyl)cyclooctane
CID 19849973
1-ethenyl-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 20645937
1-(4-ethylcyclohexyl)-4-[4-[4-(2-methylbutyl)cyclohexen-1-yl]phenyl]benzene
CID 20538412
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-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene
CID 54084592

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane?
The IUPAC name of 1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane (CID 145009719) is 1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane.
What is the SMILES notation for 1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane?
The canonical SMILES for 1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane is C=Cc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)cc1.CCC.
What is the InChIKey of 1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane?
The InChIKey is VURUOLYJINAMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26.C3H8/c1-3-17-5-9-19(10-6-17)21-13-15-22(16-14-21)20-11-7-18(4-2)8-12-20;1-3-2/h3,5-6,9-10,13-16,18,20H,1,4,7-8,11-12H2,2H3;3H2,1-2H3.
What are the key properties of 1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane?
1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane has a molecular weight of 334.55 g/mol, XLogP of 8.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane is sourced from PubChem (CID 145009719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).