1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene

C27H42F2O — CID 67895926

IUPAC1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCCOc1ccc(C2CCC(CCC3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C27H42F2O/c1-3-5-19-30-25-18-17-24(26(28)27(25)29)23-15-13-22(14-16-23)12-11-21-9-7-20(6-4-2)8-10-21/h17-18,20-23H,3-16,19H2,1-2H3
InChIKeyOUSRAEKXOAVCJC-UHFFFAOYSA-N
MW420.63 g/mol
LogP8.80
Rot. Bonds10

About 1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene

1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene (PubChem CID 67895926) has the molecular formula C27H42F2O and a molecular weight of 420.63 g/mol. Its IUPAC name is 1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
PubChem CID67895926
Molecular FormulaC27H42F2O
Molecular Weight420.63 g/mol
Exact Mass420.32
IUPAC Name1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCCOc1ccc(C2CCC(CCC3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C27H42F2O/c1-3-5-19-30-25-18-17-24(26(28)27(25)29)23-15-13-22(14-16-23)12-11-21-9-7-20(6-4-2)8-10-21/h17-18,20-23H,3-16,19H2,1-2H3
InChIKeyOUSRAEKXOAVCJC-UHFFFAOYSA-N
XLogP8.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.63
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]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-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]-4-pentoxybenzene
CID 67896005
2,3-difluoro-1-octoxy-4-(4-octylcyclohexyl)benzene
CID 19103732
1-[4-(2,3-difluoro-4-pentoxyphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730650
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161445027
2,3-difluoro-1-[4-(4-hexylcyclohexyl)cyclohexyl]-4-pentoxybenzene
CID 134358391
2,3-difluoro-1-pent-4-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 69030502
2,3-difluoro-1-[4-(4-heptylcyclohexyl)cyclohexyl]-4-propoxybenzene
CID 134358385
1-(4-butylcyclohexyl)-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene
CID 134358667
1-[2,3-difluoro-4-(4-octylcyclohexyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 134358701
1-butoxy-4-[4-[2-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorobenzene
CID 89429702
1-butoxy-4-[4-[4-(chloromethyl)cyclohexyl]cyclohexyl]-2,3-difluorobenzene
CID 66682966

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The IUPAC name of 1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene (CID 67895926) is 1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene.
What is the SMILES notation for 1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The canonical SMILES for 1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene is CCCCOc1ccc(C2CCC(CCC3CCC(CCC)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The InChIKey is OUSRAEKXOAVCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42F2O/c1-3-5-19-30-25-18-17-24(26(28)27(25)29)23-15-13-22(14-16-23)12-11-21-9-7-20(6-4-2)8-10-21/h17-18,20-23H,3-16,19H2,1-2H3.
What are the key properties of 1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene has a molecular weight of 420.63 g/mol, XLogP of 8.80, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene is sourced from PubChem (CID 67895926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).