3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran

C20H26F2O2 — CID 118586739

IUPAC3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCCOc1ccc(C2CC=C(C3CCC(C)CC3)OC2)c(F)c1F
InChIInChI=1S/C20H26F2O2/c1-3-23-18-11-9-16(19(21)20(18)22)15-8-10-17(24-12-15)14-6-4-13(2)5-7-14/h9-11,13-15H,3-8,12H2,1-2H3
InChIKeyFJPYPCPMCSHBNH-UHFFFAOYSA-N
MW336.42 g/mol
LogP5.58
Rot. Bonds4

About 3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran

3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran (PubChem CID 118586739) has the molecular formula C20H26F2O2 and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
PubChem CID118586739
Molecular FormulaC20H26F2O2
Molecular Weight336.42 g/mol
Exact Mass336.19
IUPAC Name3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCCOc1ccc(C2CC=C(C3CCC(C)CC3)OC2)c(F)c1F
InChIInChI=1S/C20H26F2O2/c1-3-23-18-11-9-16(19(21)20(18)22)15-8-10-17(24-12-15)14-6-4-13(2)5-7-14/h9-11,13-15H,3-8,12H2,1-2H3
InChIKeyFJPYPCPMCSHBNH-UHFFFAOYSA-N
XLogP5.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.42
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583442
3-(7-ethoxy-1,8,9,9-tetrafluorofluoren-2-yl)-6-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583599
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819
3-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-(4-pentylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583578
3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583592
3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583572
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932
6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583470
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-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2-(6-propyloxan-3-yl)oxane
CID 67968505
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran (CID 118586739) is 3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran is CCOc1ccc(C2CC=C(C3CCC(C)CC3)OC2)c(F)c1F.
What is the InChIKey of 3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The InChIKey is FJPYPCPMCSHBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2O2/c1-3-23-18-11-9-16(19(21)20(18)22)15-8-10-17(24-12-15)14-6-4-13(2)5-7-14/h9-11,13-15H,3-8,12H2,1-2H3.
What are the key properties of 3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran has a molecular weight of 336.42 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118586739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).