3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran

C18H25FO2 — CID 118583525

IUPAC3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran
SMILESCCCCCC1=CCC(c2ccc(OCC)c(F)c2)CO1
InChIInChI=1S/C18H25FO2/c1-3-5-6-7-16-10-8-15(13-21-16)14-9-11-18(20-4-2)17(19)12-14/h9-12,15H,3-8,13H2,1-2H3
InChIKeyXNRSKSWFURLJTK-UHFFFAOYSA-N
MW292.39 g/mol
LogP5.19
Rot. Bonds7

About 3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran

3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran (PubChem CID 118583525) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran
PubChem CID118583525
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran
SMILESCCCCCC1=CCC(c2ccc(OCC)c(F)c2)CO1
InChIInChI=1S/C18H25FO2/c1-3-5-6-7-16-10-8-15(13-21-16)14-9-11-18(20-4-2)17(19)12-14/h9-12,15H,3-8,13H2,1-2H3
InChIKeyXNRSKSWFURLJTK-UHFFFAOYSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.39
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583660
3-[4-[4-(4-ethylcyclohexyl)-3-fluorophenyl]phenyl]-6-pentyl-3,4-dihydro-2H-pyran
CID 118583725
3-(2,3-difluoro-4-methylphenyl)-6-pentyl-3,4-dihydro-2H-pyran
CID 118583535
3-(7-butoxy-3,4,5,6-tetrafluoro-9,10-dihydrophenanthren-2-yl)-6-pentyl-3,4-dihydro-2H-pyran
CID 118583554
3-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]-2,3-difluorophenyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583592
3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583726
4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene
CID 57265159
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-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583572
2-[4-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]phenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594158
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran?
The IUPAC name of 3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran (CID 118583525) is 3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran is CCCCCC1=CCC(c2ccc(OCC)c(F)c2)CO1.
What is the InChIKey of 3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran?
The InChIKey is XNRSKSWFURLJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO2/c1-3-5-6-7-16-10-8-15(13-21-16)14-9-11-18(20-4-2)17(19)12-14/h9-12,15H,3-8,13H2,1-2H3.
What are the key properties of 3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran?
3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran has a molecular weight of 292.39 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-fluorophenyl)-6-pentyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).