1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene

C25H30F2O — CID 77417109

IUPAC1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene
SMILESCCOc1ccc(-c2ccc(CCC=CC3CCC(C)CC3)cc2)c(F)c1F
InChIInChI=1S/C25H30F2O/c1-3-28-23-17-16-22(24(26)25(23)27)21-14-12-20(13-15-21)7-5-4-6-19-10-8-18(2)9-11-19/h4,6,12-19H,3,5,7-11H2,1-2H3
InChIKeyMULAHRLVEBDHOG-UHFFFAOYSA-N
MW384.51 g/mol
LogP7.35
Rot. Bonds7

About 1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene

1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene (PubChem CID 77417109) has the molecular formula C25H30F2O and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene
PubChem CID77417109
Molecular FormulaC25H30F2O
Molecular Weight384.51 g/mol
Exact Mass384.23
IUPAC Name1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene
SMILESCCOc1ccc(-c2ccc(CCC=CC3CCC(C)CC3)cc2)c(F)c1F
InChIInChI=1S/C25H30F2O/c1-3-28-23-17-16-22(24(26)25(23)27)21-14-12-20(13-15-21)7-5-4-6-19-10-8-18(2)9-11-19/h4,6,12-19H,3,5,7-11H2,1-2H3
InChIKeyMULAHRLVEBDHOG-UHFFFAOYSA-N
XLogP7.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-[4-[4-(4-pentylphenyl)cyclohexyl]but-3-enyl]phenyl]benzene
CID 77417289
1-ethoxy-2,3-difluoro-4-[[4-[(E)-4-(4-methylcyclohexyl)but-3-enyl]phenoxy]methyl]benzene
CID 118888339
2,3-difluoro-1-[4-[4-[4-(4-pentylphenyl)but-1-enyl]cyclohexyl]phenyl]-4-propoxybenzene
CID 77417347
2,3-difluoro-1-hexoxy-4-[4-[4-[4-(4-pentylphenyl)cyclohexyl]but-3-enyl]phenyl]benzene
CID 77417292
1-ethoxy-2,3-difluoro-4-[4-[4-(4-pent-3-enylcyclohex-3-en-1-yl)but-3-enyl]phenyl]benzene
CID 77417259
1-[2,3-difluoro-4-[4-[4-(4-pentylphenyl)but-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 77417365
1-[4-[4-(4-butylphenyl)but-1-enyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 77417120
1-ethoxy-4-[4-[4-(4-ethylphenyl)but-1-enyl]cyclohexyl]-2,3-difluorobenzene
CID 77417121
1-ethoxy-2,3-difluoro-4-[4-[4-[4-(4-propylphenyl)but-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 77455324
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]benzene
CID 118886179
1-ethoxy-2,3-difluoro-4-[4-[4-[4-(4-methylphenyl)but-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 77417331
1-[2,3-difluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886065

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene (CID 77417109) is 1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene is CCOc1ccc(-c2ccc(CCC=CC3CCC(C)CC3)cc2)c(F)c1F.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene?
The InChIKey is MULAHRLVEBDHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2O/c1-3-28-23-17-16-22(24(26)25(23)27)21-14-12-20(13-15-21)7-5-4-6-19-10-8-18(2)9-11-19/h4,6,12-19H,3,5,7-11H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene?
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene has a molecular weight of 384.51 g/mol, XLogP of 7.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene is sourced from PubChem (CID 77417109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).