1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene

C31H41Cl — CID 67590386

IUPAC1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
SMILESCCCC1CCC(CCC2CCC(c3ccc(/C=C/c4ccc(Cl)cc4)cc3)CC2)CC1
InChIInChI=1S/C31H41Cl/c1-2-3-24-4-6-25(7-5-24)8-9-26-12-18-29(19-13-26)30-20-14-27(15-21-30)10-11-28-16-22-31(32)23-17-28/h10-11,14-17,20-26,29H,2-9,12-13,18-19H2,1H3/b11-10+
InChIKeyPEPLWUFFIYBTHX-ZHACJKMWSA-N
MW449.12 g/mol
LogP10.17
Rot. Bonds8

About 1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene

1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene (PubChem CID 67590386) has the molecular formula C31H41Cl and a molecular weight of 449.12 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
PubChem CID67590386
Molecular FormulaC31H41Cl
Molecular Weight449.12 g/mol
Exact Mass448.29
IUPAC Name1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
SMILESCCCC1CCC(CCC2CCC(c3ccc(/C=C/c4ccc(Cl)cc4)cc3)CC2)CC1
InChIInChI=1S/C31H41Cl/c1-2-3-24-4-6-25(7-5-24)8-9-26-12-18-29(19-13-26)30-20-14-27(15-21-30)10-11-28-16-22-31(32)23-17-28/h10-11,14-17,20-26,29H,2-9,12-13,18-19H2,1H3/b11-10+
InChIKeyPEPLWUFFIYBTHX-ZHACJKMWSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.12
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane
CID 25197320
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737
5-(4-ethylcyclohexyl)-2-[(Z)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]pyridine
CID 92971949
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene (CID 67590386) is 1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene is CCCC1CCC(CCC2CCC(c3ccc(/C=C/c4ccc(Cl)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene?
The InChIKey is PEPLWUFFIYBTHX-ZHACJKMWSA-N. The full InChI is InChI=1S/C31H41Cl/c1-2-3-24-4-6-25(7-5-24)8-9-26-12-18-29(19-13-26)30-20-14-27(15-21-30)10-11-28-16-22-31(32)23-17-28/h10-11,14-17,20-26,29H,2-9,12-13,18-19H2,1H3/b11-10+.
What are the key properties of 1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene?
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene has a molecular weight of 449.12 g/mol, XLogP of 10.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 67590386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).