3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran

C22H30F2O2 — CID 118583572

IUPAC3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1=CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CO1
InChIInChI=1S/C22H30F2O2/c1-3-5-18-11-10-17(14-26-18)15-6-8-16(9-7-15)19-12-13-20(25-4-2)22(24)21(19)23/h11-13,15-17H,3-10,14H2,1-2H3
InChIKeyLZIPHVCVYAFLQF-UHFFFAOYSA-N
MW364.48 g/mol
LogP6.36
Rot. Bonds6

About 3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran

3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran (PubChem CID 118583572) has the molecular formula C22H30F2O2 and a molecular weight of 364.48 g/mol. Its IUPAC name is 3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran
PubChem CID118583572
Molecular FormulaC22H30F2O2
Molecular Weight364.48 g/mol
Exact Mass364.22
IUPAC Name3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1=CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CO1
InChIInChI=1S/C22H30F2O2/c1-3-5-18-11-10-17(14-26-18)15-6-8-16(9-7-15)19-12-13-20(25-4-2)22(24)21(19)23/h11-13,15-17H,3-10,14H2,1-2H3
InChIKeyLZIPHVCVYAFLQF-UHFFFAOYSA-N
XLogP6.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.48
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583592
3-(4-ethoxy-2,3-difluorophenyl)-6-propyl-3,4-dihydro-2H-pyran;5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxan-2-ol
CID 158430810
1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene
CID 59346093
3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118586739
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 20621688
2-ethenyl-5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]oxane
CID 58021340
5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2-(6-propyloxan-3-yl)oxane
CID 67968505
3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583660
5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2-prop-1-enyloxane
CID 91046335
1-butoxy-4-(4-cyclopentylcyclohexyl)-2,3-difluorobenzene
CID 118119063
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819
1-ethoxy-2,3-difluoro-4-[4-[4-[4-(4-propylphenyl)but-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 77455324

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran?
The IUPAC name of 3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran (CID 118583572) is 3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran is CCCC1=CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CO1.
What is the InChIKey of 3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran?
The InChIKey is LZIPHVCVYAFLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2O2/c1-3-5-18-11-10-17(14-26-18)15-6-8-16(9-7-15)19-12-13-20(25-4-2)22(24)21(19)23/h11-13,15-17H,3-10,14H2,1-2H3.
What are the key properties of 3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran?
3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran has a molecular weight of 364.48 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).