1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol

C17H24F2O2 — CID 118967053

IUPAC1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
SMILESCCOc1ccc(C2CCC(C(O)CC)CC2)c(F)c1F
InChIInChI=1S/C17H24F2O2/c1-3-14(20)12-7-5-11(6-8-12)13-9-10-15(21-4-2)17(19)16(13)18/h9-12,14,20H,3-8H2,1-2H3
InChIKeyLMMGPGHONHONTK-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.41
Rot. Bonds5

About 1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol

1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol (PubChem CID 118967053) has the molecular formula C17H24F2O2 and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
PubChem CID118967053
Molecular FormulaC17H24F2O2
Molecular Weight298.37 g/mol
Exact Mass298.17
IUPAC Name1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
SMILESCCOc1ccc(C2CCC(C(O)CC)CC2)c(F)c1F
InChIInChI=1S/C17H24F2O2/c1-3-14(20)12-7-5-11(6-8-12)13-9-10-15(21-4-2)17(19)16(13)18/h9-12,14,20H,3-8H2,1-2H3
InChIKeyLMMGPGHONHONTK-UHFFFAOYSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene
CID 66962516
1-[4-[4-[[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorophenyl]propan-1-ol
CID 88857111
1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene
CID 123762040
1-ethoxy-2,3-difluoro-4-[4-[1-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 19103586
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene
CID 59346093
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819
4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorophenoxy]methyl]-2,3-difluorophenol
CID 122643430
1-[4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]cyclohexyl]oxymethyl]-2,3-difluorophenyl]propan-1-ol
CID 88857310
[4-[4-[2,3-difluoro-4-(1-hydroxyethyl)phenyl]cyclohexyl]-2,3-difluorophenyl] 4-ethoxy-2,3-difluorobenzoate
CID 88857201

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol?
The IUPAC name of 1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol (CID 118967053) is 1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol is CCOc1ccc(C2CCC(C(O)CC)CC2)c(F)c1F.
What is the InChIKey of 1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol?
The InChIKey is LMMGPGHONHONTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O2/c1-3-14(20)12-7-5-11(6-8-12)13-9-10-15(21-4-2)17(19)16(13)18/h9-12,14,20H,3-8H2,1-2H3.
What are the key properties of 1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol?
1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol has a molecular weight of 298.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 118967053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).