3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran

C17H22F2O — CID 118583535

IUPAC3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran
SMILESCCCCCC1=CCC(c2ccc(C)c(F)c2F)CO1
InChIInChI=1S/C17H22F2O/c1-3-4-5-6-14-9-8-13(11-20-14)15-10-7-12(2)16(18)17(15)19/h7,9-10,13H,3-6,8,11H2,1-2H3
InChIKeyYVVPZYAUJYZAHL-UHFFFAOYSA-N
MW280.36 g/mol
LogP5.24
Rot. Bonds5

About 3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran

3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran (PubChem CID 118583535) has the molecular formula C17H22F2O and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran
PubChem CID118583535
Molecular FormulaC17H22F2O
Molecular Weight280.36 g/mol
Exact Mass280.16
IUPAC Name3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran
SMILESCCCCCC1=CCC(c2ccc(C)c(F)c2F)CO1
InChIInChI=1S/C17H22F2O/c1-3-4-5-6-14-9-8-13(11-20-14)15-10-7-12(2)16(18)17(15)19/h7,9-10,13H,3-6,8,11H2,1-2H3
InChIKeyYVVPZYAUJYZAHL-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(7-butoxy-3,4,5,6-tetrafluoro-9,10-dihydrophenanthren-2-yl)-6-pentyl-3,4-dihydro-2H-pyran
CID 118583554
3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583442
3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583592
3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran
CID 118583525
3-[4-[4-(4-ethylcyclohexyl)-3-fluorophenyl]phenyl]-6-pentyl-3,4-dihydro-2H-pyran
CID 118583725
3-(1,8,9,9,10,10-hexafluoro-7-propylphenanthren-2-yl)-6-[(E)-pent-3-enyl]-3,4-dihydro-2H-pyran
CID 118583560
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
3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran
CID 118586986
3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583572
3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118586739
1-butoxy-4-[4-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexen-1-yl]-2,3-difluorophenyl]cyclohexen-1-yl]-2,3-difluorobenzene
CID 58453700
1-butoxy-4-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexen-1-yl]-2,3-difluorophenyl]-2,3-difluorobenzene
CID 88856316

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran?
The IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran (CID 118583535) is 3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran is CCCCCC1=CCC(c2ccc(C)c(F)c2F)CO1.
What is the InChIKey of 3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran?
The InChIKey is YVVPZYAUJYZAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2O/c1-3-4-5-6-14-9-8-13(11-20-14)15-10-7-12(2)16(18)17(15)19/h7,9-10,13H,3-6,8,11H2,1-2H3.
What are the key properties of 3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran?
3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran has a molecular weight of 280.36 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).