2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran

C14H16F2O2 — CID 118360737

IUPAC2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran
SMILESCCOc1ccc(C2CCC(C)=CO2)c(F)c1F
InChIInChI=1S/C14H16F2O2/c1-3-17-12-7-5-10(13(15)14(12)16)11-6-4-9(2)8-18-11/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyBEECDQCSXBPLCK-UHFFFAOYSA-N
MW254.28 g/mol
LogP4.12
Rot. Bonds3

About 2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran

2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran (PubChem CID 118360737) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran
PubChem CID118360737
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran
SMILESCCOc1ccc(C2CCC(C)=CO2)c(F)c1F
InChIInChI=1S/C14H16F2O2/c1-3-17-12-7-5-10(13(15)14(12)16)11-6-4-9(2)8-18-11/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyBEECDQCSXBPLCK-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
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-[4-(4-ethyl-2,3-difluorophenyl)cyclohexylidene]cyclohexyl]-2,3-difluorobenzene
CID 126501946
2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane
CID 176777875
2-[4-[4-[[4-(4-ethylcyclohexyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorophenyl]oxirane
CID 88963986
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932
2-(4-ethoxy-2,3-difluorophenyl)-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane
CID 67968439
4-[4-(4-ethoxy-2,3-difluorophenyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2,3-difluorophenol
CID 163497672
1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
CID 118967053
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-[2,3-difluoro-4-[4-(methoxymethylidene)cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67434471
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran (CID 118360737) is 2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran is CCOc1ccc(C2CCC(C)=CO2)c(F)c1F.
What is the InChIKey of 2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran?
The InChIKey is BEECDQCSXBPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c1-3-17-12-7-5-10(13(15)14(12)16)11-6-4-9(2)8-18-11/h5,7-8,11H,3-4,6H2,1-2H3.
What are the key properties of 2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran?
2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran has a molecular weight of 254.28 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118360737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).