1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene

C25H38F2O — CID 130352095

IUPAC1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene
SMILESCCCCC1CCC(CCC2CCC(c3ccc(OC)cc3)CC2)CC1(F)F
InChIInChI=1S/C25H38F2O/c1-3-4-5-23-15-10-20(18-25(23,26)27)7-6-19-8-11-21(12-9-19)22-13-16-24(28-2)17-14-22/h13-14,16-17,19-21,23H,3-12,15,18H2,1-2H3
InChIKeyNDYNNUHFTJCMBP-UHFFFAOYSA-N
MW392.57 g/mol
LogP7.99
Rot. Bonds8

About 1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene

1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene (PubChem CID 130352095) has the molecular formula C25H38F2O and a molecular weight of 392.57 g/mol. Its IUPAC name is 1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene
PubChem CID130352095
Molecular FormulaC25H38F2O
Molecular Weight392.57 g/mol
Exact Mass392.29
IUPAC Name1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene
SMILESCCCCC1CCC(CCC2CCC(c3ccc(OC)cc3)CC2)CC1(F)F
InChIInChI=1S/C25H38F2O/c1-3-4-5-23-15-10-20(18-25(23,26)27)7-6-19-8-11-21(12-9-19)22-13-16-24(28-2)17-14-22/h13-14,16-17,19-21,23H,3-12,15,18H2,1-2H3
InChIKeyNDYNNUHFTJCMBP-UHFFFAOYSA-N
XLogP7.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724432
1-methoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539339
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 144714458
6-butyl-2-(4-methoxyphenyl)spiro[3.3]heptane
CID 19387563
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol
CID 160756551
2-butyl-6-[4-(4-methoxyphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383120
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-(4-butylcyclohexyl)pyridine;ethane
CID 143311003
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene?
The IUPAC name of 1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene (CID 130352095) is 1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene.
What is the SMILES notation for 1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene?
The canonical SMILES for 1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene is CCCCC1CCC(CCC2CCC(c3ccc(OC)cc3)CC2)CC1(F)F.
What is the InChIKey of 1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene?
The InChIKey is NDYNNUHFTJCMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38F2O/c1-3-4-5-23-15-10-20(18-25(23,26)27)7-6-19-8-11-21(12-9-19)22-13-16-24(28-2)17-14-22/h13-14,16-17,19-21,23H,3-12,15,18H2,1-2H3.
What are the key properties of 1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene?
1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene has a molecular weight of 392.57 g/mol, XLogP of 7.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene is sourced from PubChem (CID 130352095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).