1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one

C17H22O3 — CID 10588393

IUPAC1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
SMILESCCOC1CCC(C(=O)C(C)C)=C(c2ccccc2)O1
InChIInChI=1S/C17H22O3/c1-4-19-15-11-10-14(16(18)12(2)3)17(20-15)13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3
InChIKeyWQTPAWUVMISJST-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.80
Rot. Bonds5

About 1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one

1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one (PubChem CID 10588393) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
PubChem CID10588393
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
SMILESCCOC1CCC(C(=O)C(C)C)=C(c2ccccc2)O1
InChIInChI=1S/C17H22O3/c1-4-19-15-11-10-14(16(18)12(2)3)17(20-15)13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3
InChIKeyWQTPAWUVMISJST-UHFFFAOYSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone
CID 11043047
(2S)-2-ethoxy-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
CID 101107998
[2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone
CID 10854362
ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate
CID 10938724
2-ethoxy-8-methyl-3,4-dihydro-2H-chromene
CID 15012842
(2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate
CID 10562502
4-diethoxyphosphoryl-2-(2-methylpropoxy)-5-phenyl-2,3-dihydrofuran
CID 11382656
N-[(2S,4R)-2-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 11546049
ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate
CID 101448168
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
anisole;ethyl 2-methylpropanoate
CID 177064087
ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate
CID 18325913

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one (CID 10588393) is 1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one is CCOC1CCC(C(=O)C(C)C)=C(c2ccccc2)O1.
What is the InChIKey of 1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one?
The InChIKey is WQTPAWUVMISJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-4-19-15-11-10-14(16(18)12(2)3)17(20-15)13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3.
What are the key properties of 1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one?
1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one has a molecular weight of 274.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 10588393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).