1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene

C23H33Br — CID 18656236

IUPAC1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCC(/C=C/Br)CC3)CC2)cc1
InChIInChI=1S/C23H33Br/c1-2-3-18-4-8-20(9-5-18)22-12-14-23(15-13-22)21-10-6-19(7-11-21)16-17-24/h4-5,8-9,16-17,19,21-23H,2-3,6-7,10-15H2,1H3/b17-16+
InChIKeyPGRXTMZQMPWNBX-WUKNDPDISA-N
MW389.42 g/mol
LogP7.63
Rot. Bonds5

About 1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene

1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene (PubChem CID 18656236) has the molecular formula C23H33Br and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
PubChem CID18656236
Molecular FormulaC23H33Br
Molecular Weight389.42 g/mol
Exact Mass388.18
IUPAC Name1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCC(/C=C/Br)CC3)CC2)cc1
InChIInChI=1S/C23H33Br/c1-2-3-18-4-8-20(9-5-18)22-12-14-23(15-13-22)21-10-6-19(7-11-21)16-17-24/h4-5,8-9,16-17,19,21-23H,2-3,6-7,10-15H2,1H3/b17-16+
InChIKeyPGRXTMZQMPWNBX-WUKNDPDISA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene 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-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19612816
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene
CID 22915848
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
5-[4-(4-propylphenyl)cyclohexyl]penta-2,4-dienenitrile
CID 54105886
1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 140619239
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
CID 19798836
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
CID 139863895

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene?
The IUPAC name of 1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene (CID 18656236) is 1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene.
What is the SMILES notation for 1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene?
The canonical SMILES for 1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene is CCCc1ccc(C2CCC(C3CCC(/C=C/Br)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene?
The InChIKey is PGRXTMZQMPWNBX-WUKNDPDISA-N. The full InChI is InChI=1S/C23H33Br/c1-2-3-18-4-8-20(9-5-18)22-12-14-23(15-13-22)21-10-6-19(7-11-21)16-17-24/h4-5,8-9,16-17,19,21-23H,2-3,6-7,10-15H2,1H3/b17-16+.
What are the key properties of 1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene?
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene has a molecular weight of 389.42 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene is sourced from PubChem (CID 18656236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).