1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol

C24H35F3O2 — CID 131991201

IUPAC1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
SMILESCCOc1ccc(C(O)CC2CCC(C3CCC(C)CC3)CC2)c(C(F)F)c1F
InChIInChI=1S/C24H35F3O2/c1-3-29-21-13-12-19(22(23(21)25)24(26)27)20(28)14-16-6-10-18(11-7-16)17-8-4-15(2)5-9-17/h12-13,15-18,20,24,28H,3-11,14H2,1-2H3
InChIKeyGPJHTVZCTGHAHL-UHFFFAOYSA-N
MW412.54 g/mol
LogP7.22
Rot. Bonds7

About 1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol

1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol (PubChem CID 131991201) has the molecular formula C24H35F3O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
PubChem CID131991201
Molecular FormulaC24H35F3O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
SMILESCCOc1ccc(C(O)CC2CCC(C3CCC(C)CC3)CC2)c(C(F)F)c1F
InChIInChI=1S/C24H35F3O2/c1-3-29-21-13-12-19(22(23(21)25)24(26)27)20(28)14-16-6-10-18(11-7-16)17-8-4-15(2)5-9-17/h12-13,15-18,20,24,28H,3-11,14H2,1-2H3
InChIKeyGPJHTVZCTGHAHL-UHFFFAOYSA-N
XLogP7.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol with MolForge

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Related Compounds

1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol
CID 23118816
[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-[4-(4-propylcyclohexyl)cyclohexyl]methanone
CID 118287325
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 134477175
1-[3-(difluoromethyl)-4-ethoxy-2-(trifluoromethyl)phenyl]-4-[4-(4-methylcyclohexyl)cyclohexyl]butan-1-one
CID 118287222
[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-(4-propylcyclohexyl)methanone
CID 118287310
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 58953361
1-[4-[4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]methoxy]-2,3-difluorophenyl]-2,3-difluorophenyl]butan-1-ol
CID 88893933
1-[2-(difluoromethyl)-3-fluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]phenyl]-2-(4-propylcyclohexyl)ethanone
CID 118287284
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]ethanone
CID 118287269

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
The IUPAC name of 1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol (CID 131991201) is 1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol.
What is the SMILES notation for 1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
The canonical SMILES for 1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol is CCOc1ccc(C(O)CC2CCC(C3CCC(C)CC3)CC2)c(C(F)F)c1F.
What is the InChIKey of 1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
The InChIKey is GPJHTVZCTGHAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3O2/c1-3-29-21-13-12-19(22(23(21)25)24(26)27)20(28)14-16-6-10-18(11-7-16)17-8-4-15(2)5-9-17/h12-13,15-18,20,24,28H,3-11,14H2,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol has a molecular weight of 412.54 g/mol, XLogP of 7.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol is sourced from PubChem (CID 131991201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).