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

C19H24F2O — CID 118583442

IUPAC3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCc1ccc(C2CC=C(C3CCC(C)CC3)OC2)c(F)c1F
InChIInChI=1S/C19H24F2O/c1-12-3-6-14(7-4-12)17-10-8-15(11-22-17)16-9-5-13(2)18(20)19(16)21/h5,9-10,12,14-15H,3-4,6-8,11H2,1-2H3
InChIKeyWVBVPUYSASABAZ-UHFFFAOYSA-N
MW306.40 g/mol
LogP5.49
Rot. Bonds2

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

3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran (PubChem CID 118583442) has the molecular formula C19H24F2O and a molecular weight of 306.40 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
PubChem CID118583442
Molecular FormulaC19H24F2O
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCc1ccc(C2CC=C(C3CCC(C)CC3)OC2)c(F)c1F
InChIInChI=1S/C19H24F2O/c1-12-3-6-14(7-4-12)17-10-8-15(11-22-17)16-9-5-13(2)18(20)19(16)21/h5,9-10,12,14-15H,3-4,6-8,11H2,1-2H3
InChIKeyWVBVPUYSASABAZ-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran (CID 118583442) is 3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran is Cc1ccc(C2CC=C(C3CCC(C)CC3)OC2)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The InChIKey is WVBVPUYSASABAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2O/c1-12-3-6-14(7-4-12)17-10-8-15(11-22-17)16-9-5-13(2)18(20)19(16)21/h5,9-10,12,14-15H,3-4,6-8,11H2,1-2H3.
What are the key properties of 3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran has a molecular weight of 306.40 g/mol, XLogP of 5.49, 2 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-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).