1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene

C23H32F2O — CID 134358461

IUPAC1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESC/C=C/COc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H32F2O/c1-3-4-15-26-21-14-13-20(22(24)23(21)25)19-11-9-18(10-12-19)17-7-5-16(2)6-8-17/h3-4,13-14,16-19H,5-12,15H2,1-2H3/b4-3+
InChIKeyKQYKANALVDVXNT-ONEGZZNKSA-N
MW362.50 g/mol
LogP7.02
Rot. Bonds5

About 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene

1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene (PubChem CID 134358461) has the molecular formula C23H32F2O and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
PubChem CID134358461
Molecular FormulaC23H32F2O
Molecular Weight362.50 g/mol
Exact Mass362.24
IUPAC Name1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESC/C=C/COc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H32F2O/c1-3-4-15-26-21-14-13-20(22(24)23(21)25)19-11-9-18(10-12-19)17-7-5-16(2)6-8-17/h3-4,13-14,16-19H,5-12,15H2,1-2H3/b4-3+
InChIKeyKQYKANALVDVXNT-ONEGZZNKSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene 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

2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-[(E)-prop-1-enoxy]benzene
CID 90161498
1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 118302717
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene
CID 67748684
2-[4-[(E)-but-2-enoxy]-2,3-difluorophenyl]-6-(4-but-3-enylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869837
1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161461439
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene
CID 145436427
1-[2-[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]ethyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90164855
1-[4-[4-[(Z)-but-2-enyl]cyclohexyl]cyclohexyl]-2,3-difluoro-4-octoxybenzene
CID 134358437
1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 126759194
2-[4-[2-[4-[(E)-but-2-enoxy]-2,3-difluorophenyl]ethynyl]-2,3-difluorophenyl]-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869329

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene (CID 134358461) is 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene is C/C=C/COc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The InChIKey is KQYKANALVDVXNT-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H32F2O/c1-3-4-15-26-21-14-13-20(22(24)23(21)25)19-11-9-18(10-12-19)17-7-5-16(2)6-8-17/h3-4,13-14,16-19H,5-12,15H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene has a molecular weight of 362.50 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 134358461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).