1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene

C26H34F2O — CID 14765980

IUPAC1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
SMILESCCCCCC1CCC(c2ccc(CCc3ccc(OC(F)F)cc3)cc2)CC1
InChIInChI=1S/C26H34F2O/c1-2-3-4-5-20-8-14-23(15-9-20)24-16-10-21(11-17-24)6-7-22-12-18-25(19-13-22)29-26(27)28/h10-13,16-20,23,26H,2-9,14-15H2,1H3
InChIKeyFNZUMLUBYWJNCX-UHFFFAOYSA-N
MW400.55 g/mol
LogP7.93
Rot. Bonds10

About 1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene

1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene (PubChem CID 14765980) has the molecular formula C26H34F2O and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
PubChem CID14765980
Molecular FormulaC26H34F2O
Molecular Weight400.55 g/mol
Exact Mass400.26
IUPAC Name1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
SMILESCCCCCC1CCC(c2ccc(CCc3ccc(OC(F)F)cc3)cc2)CC1
InChIInChI=1S/C26H34F2O/c1-2-3-4-5-20-8-14-23(15-9-20)24-16-10-21(11-17-24)6-7-22-12-18-25(19-13-22)29-26(27)28/h10-13,16-20,23,26H,2-9,14-15H2,1H3
InChIKeyFNZUMLUBYWJNCX-UHFFFAOYSA-N
XLogP7.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-decylcyclohexyl)cyclohexyl]-4-(difluoromethoxy)benzene
CID 18658967
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-pentylcyclohexyl)naphthalene
CID 139870936
2-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870011
[4-(4-nonylcyclohexyl)phenyl] 4-(difluoromethoxy)benzoate
CID 19436249
1-[4-(4-fluorobutyl)cyclohexyl]-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethyl]benzene
CID 21265220
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-(difluoromethylsulfanyl)-4-[2-[4-(4-heptylcyclohexyl)phenyl]ethyl]benzene
CID 18658989
5-(4-butylcyclohexyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-1,3-difluorobenzene
CID 139748543
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 20677014
1-(4-heptylcyclohexyl)-4-(3,3,3-trifluoropropyl)benzene;1-(4-octylcyclohexyl)-4-(3,3,3-trifluoropropyl)benzene
CID 88511829
1-(difluoromethoxy)-4-[difluoro-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]methoxy]benzene
CID 70177031

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene (CID 14765980) is 1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene is CCCCCC1CCC(c2ccc(CCc3ccc(OC(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene?
The InChIKey is FNZUMLUBYWJNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2O/c1-2-3-4-5-20-8-14-23(15-9-20)24-16-10-21(11-17-24)6-7-22-12-18-25(19-13-22)29-26(27)28/h10-13,16-20,23,26H,2-9,14-15H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene?
1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene has a molecular weight of 400.55 g/mol, XLogP of 7.93, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene is sourced from PubChem (CID 14765980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).