1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene

C23H33BrO — CID 18656557

IUPAC1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
SMILESCOc1ccc(CCC2CCC(C3CCC(/C=C/Br)CC3)CC2)cc1
InChIInChI=1S/C23H33BrO/c1-25-23-14-8-19(9-15-23)3-2-18-4-10-21(11-5-18)22-12-6-20(7-13-22)16-17-24/h8-9,14-18,20-22H,2-7,10-13H2,1H3/b17-16+
InChIKeyFXAIJRTVEPPPEV-WUKNDPDISA-N
MW405.42 g/mol
LogP7.15
Rot. Bonds6

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

1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene (PubChem CID 18656557) has the molecular formula C23H33BrO and a molecular weight of 405.42 g/mol. Its IUPAC name is 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
PubChem CID18656557
Molecular FormulaC23H33BrO
Molecular Weight405.42 g/mol
Exact Mass404.17
IUPAC Name1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
SMILESCOc1ccc(CCC2CCC(C3CCC(/C=C/Br)CC3)CC2)cc1
InChIInChI=1S/C23H33BrO/c1-25-23-14-8-19(9-15-23)3-2-18-4-10-21(11-5-18)22-12-6-20(7-13-22)16-17-24/h8-9,14-18,20-22H,2-7,10-13H2,1H3/b17-16+
InChIKeyFXAIJRTVEPPPEV-WUKNDPDISA-N
XLogP7.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene with MolForge

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Related Compounds

1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene
CID 18656555
2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860632
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene
CID 139861327
1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18656533
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
1-[2-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene
CID 21459477
1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 54227543
2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139877588
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene
CID 18656366

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene?
The IUPAC name of 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene (CID 18656557) is 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene?
The canonical SMILES for 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene is COc1ccc(CCC2CCC(C3CCC(/C=C/Br)CC3)CC2)cc1.
What is the InChIKey of 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene?
The InChIKey is FXAIJRTVEPPPEV-WUKNDPDISA-N. The full InChI is InChI=1S/C23H33BrO/c1-25-23-14-8-19(9-15-23)3-2-18-4-10-21(11-5-18)22-12-6-20(7-13-22)16-17-24/h8-9,14-18,20-22H,2-7,10-13H2,1H3/b17-16+.
What are the key properties of 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene?
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene has a molecular weight of 405.42 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene is sourced from PubChem (CID 18656557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).