1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol

C24H30F2O2 — CID 130197793

IUPAC1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol
SMILESCCCOC1(C)CCC(O)(c2ccc(-c3ccc(CC)c(F)c3F)cc2)CC1
InChIInChI=1S/C24H30F2O2/c1-4-16-28-23(3)12-14-24(27,15-13-23)19-9-6-18(7-10-19)20-11-8-17(5-2)21(25)22(20)26/h6-11,27H,4-5,12-16H2,1-3H3
InChIKeyFALCYESCWOILLD-UHFFFAOYSA-N
MW388.50 g/mol
LogP6.14
Rot. Bonds6

About 1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol

1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol (PubChem CID 130197793) has the molecular formula C24H30F2O2 and a molecular weight of 388.50 g/mol. Its IUPAC name is 1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol
PubChem CID130197793
Molecular FormulaC24H30F2O2
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC Name1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol
SMILESCCCOC1(C)CCC(O)(c2ccc(-c3ccc(CC)c(F)c3F)cc2)CC1
InChIInChI=1S/C24H30F2O2/c1-4-16-28-23(3)12-14-24(27,15-13-23)19-9-6-18(7-10-19)20-11-8-17(5-2)21(25)22(20)26/h6-11,27H,4-5,12-16H2,1-3H3
InChIKeyFALCYESCWOILLD-UHFFFAOYSA-N
XLogP6.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol with MolForge

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Related Compounds

4-butoxy-1-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-4-methylcyclohexan-1-ol
CID 130176610
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
1-ethyl-2,3-difluoro-4-[4-(4-methyl-4-propylcyclohexen-1-yl)phenyl]benzene
CID 130176640
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane
CID 91103793
1-ethoxy-2,3-difluoro-4-[4-(4-methyl-4-pentoxycyclohexyl)phenyl]benzene
CID 130197949
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
8-[4-(4-butoxyphenyl)-2,3-difluorophenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 89429554
1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
CID 142331657
2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane
CID 70820703
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 143772392

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol?
The IUPAC name of 1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol (CID 130197793) is 1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol.
What is the SMILES notation for 1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol?
The canonical SMILES for 1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol is CCCOC1(C)CCC(O)(c2ccc(-c3ccc(CC)c(F)c3F)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol?
The InChIKey is FALCYESCWOILLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2O2/c1-4-16-28-23(3)12-14-24(27,15-13-23)19-9-6-18(7-10-19)20-11-8-17(5-2)21(25)22(20)26/h6-11,27H,4-5,12-16H2,1-3H3.
What are the key properties of 1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol?
1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol has a molecular weight of 388.50 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-4-methyl-4-propoxycyclohexan-1-ol is sourced from PubChem (CID 130197793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).