(2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone

C15H18O3 — CID 11043047

IUPAC(2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone
SMILESCCOC1CCC(C(=O)c2ccccc2)=C(C)O1
InChIInChI=1S/C15H18O3/c1-3-17-14-10-9-13(11(2)18-14)15(16)12-7-5-4-6-8-12/h4-8,14H,3,9-10H2,1-2H3
InChIKeyYVPXUTUHCFBZIE-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.32
Rot. Bonds4

About (2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone

(2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone (PubChem CID 11043047) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone
PubChem CID11043047
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone
SMILESCCOC1CCC(C(=O)c2ccccc2)=C(C)O1
InChIInChI=1S/C15H18O3/c1-3-17-14-10-9-13(11(2)18-14)15(16)12-7-5-4-6-8-12/h4-8,14H,3,9-10H2,1-2H3
InChIKeyYVPXUTUHCFBZIE-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone
CID 10854362
1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
CID 10588393
(2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate
CID 10562502
(2S)-2-ethoxy-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
CID 101107998
ethyl 2-benzoylcyclopropene-1-carboxylate
CID 102131953
2-ethoxy-8-methyl-3,4-dihydro-2H-chromene
CID 15012842
2-ethoxy-6-methyl-5-nitro-3,4-dihydro-2H-pyran
CID 101486780
ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate
CID 102469883
(5-ethoxyoxolan-3-yl)methyl benzoate
CID 11149370
1-phenyl(111C)propan-1-one
CID 11159350
ethyl 2-[(2-benzoylcyclohexene-1-carbonyl)-methylamino]acetate
CID 21463240
[(2S,5R)-5-ethoxy-1,3-oxathiolan-2-yl]methyl benzoate
CID 11161502

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone?
The IUPAC name of (2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone (CID 11043047) is (2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone.
What is the SMILES notation for (2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone?
The canonical SMILES for (2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone is CCOC1CCC(C(=O)c2ccccc2)=C(C)O1.
What is the InChIKey of (2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone?
The InChIKey is YVPXUTUHCFBZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-3-17-14-10-9-13(11(2)18-14)15(16)12-7-5-4-6-8-12/h4-8,14H,3,9-10H2,1-2H3.
What are the key properties of (2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone?
(2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone has a molecular weight of 246.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone is sourced from PubChem (CID 11043047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).