1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene

C25H38F2O2 — CID 19792999

IUPAC1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene
SMILESCCCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H38F2O2/c1-3-5-16-28-22-14-15-23(25(27)24(22)26)29-17-19-8-12-21(13-9-19)20-10-6-18(4-2)7-11-20/h14-15,18-21H,3-13,16-17H2,1-2H3
InChIKeyQIUYUKCHAVJBOI-UHFFFAOYSA-N
MW408.57 g/mol
LogP7.55
Rot. Bonds9

About 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene

1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene (PubChem CID 19792999) has the molecular formula C25H38F2O2 and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene
PubChem CID19792999
Molecular FormulaC25H38F2O2
Molecular Weight408.57 g/mol
Exact Mass408.28
IUPAC Name1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene
SMILESCCCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H38F2O2/c1-3-5-16-28-22-14-15-23(25(27)24(22)26)29-17-19-8-12-21(13-9-19)20-10-6-18(4-2)7-11-20/h14-15,18-21H,3-13,16-17H2,1-2H3
InChIKeyQIUYUKCHAVJBOI-UHFFFAOYSA-N
XLogP7.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene 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

trans-1-Butoxy-4-(4-propylcyclohexyl)benzene
CID 583799
1-Ethoxy-4-(4-propylcyclohexyl)benzene
CID 595182
Benzene, 1-ethoxy-2,3-difluoro-4-((trans,trans)-4'-propyl(1,1'-bicyclohexyl)-4-yl)-
CID 11417199
Benzene, 1-ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)-
CID 19103501
5-Ethyl-2-[3',5'-difluoro-4'-[difluoro(3,4,5-trifluorophenoxy)methyl]-1,1'-biphenyl-4-yl]tetrahydro-2H-pyran
CID 58995748
4-Ethoxy-4'-(4-ethylcyclohexyl)-2,3-difluorobiphenyl
CID 58997815
4-Ethoxy-2,3-difluoro-4'-propyl-1,1'-biphenyl
CID 68642346
3cHcHe2OdFP
CID 11462604
1-Butoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 22184028
4a(2)-Butyl-4-ethoxy-2,3-difluoro-1,1a(2)-biphenyl
CID 60015136
Benzene, 1-((2-(4-(1-methylethyl)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 595030
Benzene, 5-[difluoro[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]methoxy]-1,2,3-trifluoro-
CID 11350229

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene?
The IUPAC name of 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene (CID 19792999) is 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene.
What is the SMILES notation for 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene?
The canonical SMILES for 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene is CCCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene?
The InChIKey is QIUYUKCHAVJBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38F2O2/c1-3-5-16-28-22-14-15-23(25(27)24(22)26)29-17-19-8-12-21(13-9-19)20-10-6-18(4-2)7-11-20/h14-15,18-21H,3-13,16-17H2,1-2H3.
What are the key properties of 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene?
1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene has a molecular weight of 408.57 g/mol, XLogP of 7.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene is sourced from PubChem (CID 19792999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).