1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene

C26H34 — CID 22991361

IUPAC1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
SMILESC/C=C/c1ccc(CCc2ccc(C3CCC(CCC)CC3)cc2)cc1
InChIInChI=1S/C26H34/c1-3-5-21-7-9-23(10-8-21)11-12-24-15-19-26(20-16-24)25-17-13-22(6-4-2)14-18-25/h3,5,7-10,15-16,19-20,22,25H,4,6,11-14,17-18H2,1-2H3/b5-3+
InChIKeyQXKBXBFDCCJDSX-HWKANZROSA-N
MW346.56 g/mol
LogP7.58
Rot. Bonds7

About 1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene

1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene (PubChem CID 22991361) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
PubChem CID22991361
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
SMILESC/C=C/c1ccc(CCc2ccc(C3CCC(CCC)CC3)cc2)cc1
InChIInChI=1S/C26H34/c1-3-5-21-7-9-23(10-8-21)11-12-24-15-19-26(20-16-24)25-17-13-22(6-4-2)14-18-25/h3,5,7-10,15-16,19-20,22,25H,4,6,11-14,17-18H2,1-2H3/b5-3+
InChIKeyQXKBXBFDCCJDSX-HWKANZROSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862836
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane
CID 25197320
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 173068049
1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 70030132

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene?
The IUPAC name of 1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene (CID 22991361) is 1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene is C/C=C/c1ccc(CCc2ccc(C3CCC(CCC)CC3)cc2)cc1.
What is the InChIKey of 1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene?
The InChIKey is QXKBXBFDCCJDSX-HWKANZROSA-N. The full InChI is InChI=1S/C26H34/c1-3-5-21-7-9-23(10-8-21)11-12-24-15-19-26(20-16-24)25-17-13-22(6-4-2)14-18-25/h3,5,7-10,15-16,19-20,22,25H,4,6,11-14,17-18H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene?
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene has a molecular weight of 346.56 g/mol, XLogP of 7.58, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene is sourced from PubChem (CID 22991361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).