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

C14H17FO2 — CID 118586613

IUPAC3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran
SMILESCCOc1ccc(C2CC=C(C)OC2)c(F)c1
InChIInChI=1S/C14H17FO2/c1-3-16-12-6-7-13(14(15)8-12)11-5-4-10(2)17-9-11/h4,6-8,11H,3,5,9H2,1-2H3
InChIKeyJIXALJWFPNGTTR-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.63
Rot. Bonds3

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

3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran (PubChem CID 118586613) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran
PubChem CID118586613
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran
SMILESCCOc1ccc(C2CC=C(C)OC2)c(F)c1
InChIInChI=1S/C14H17FO2/c1-3-16-12-6-7-13(14(15)8-12)11-5-4-10(2)17-9-11/h4,6-8,11H,3,5,9H2,1-2H3
InChIKeyJIXALJWFPNGTTR-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol
CID 70796406
3-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-pyran
CID 118586986
[5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117384340
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol
CID 58141205
2-[2-(4-butylcyclohexyl)ethyl]-6-(4-ethoxy-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837341
3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118586739
5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-(propoxymethyl)oxane
CID 126765221
1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103
3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171955161
[3-fluoro-4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-ethoxy-2-fluorobenzoate
CID 134486557
4-ethoxy-2-fluoro-N-methylaniline
CID 68515674

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran (CID 118586613) is 3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran is CCOc1ccc(C2CC=C(C)OC2)c(F)c1.
What is the InChIKey of 3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran?
The InChIKey is JIXALJWFPNGTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-3-16-12-6-7-13(14(15)8-12)11-5-4-10(2)17-9-11/h4,6-8,11H,3,5,9H2,1-2H3.
What are the key properties of 3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran?
3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran has a molecular weight of 236.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118586613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).