4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one

C15H18O3 — CID 122677486

IUPAC4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one
SMILESCOC1=C(C)C(=O)OC(CCc2ccccc2)C1
InChIInChI=1S/C15H18O3/c1-11-14(17-2)10-13(18-15(11)16)9-8-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3
InChIKeyWRDVGTFKTSIYNX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.86
Rot. Bonds4

About 4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one

4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one (PubChem CID 122677486) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one
PubChem CID122677486
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one
SMILESCOC1=C(C)C(=O)OC(CCc2ccccc2)C1
InChIInChI=1S/C15H18O3/c1-11-14(17-2)10-13(18-15(11)16)9-8-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3
InChIKeyWRDVGTFKTSIYNX-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one
CID 114673944
(2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 163190912
(2R)-2-(2-phenylethyl)-2,3-dihydropyran-4-one
CID 11171675
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
5-(2-benzylsulfanylethyl)-3-methylideneoxolan-2-one
CID 19378098
6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
CID 141185666
2-(2-phenylethyl)oxetane
CID 13354102
(2S,6S)-6-methyl-2-(2-phenylethyl)-1,3-dioxan-4-one
CID 18631286
methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate
CID 134940795
4-oxo-2-(2-phenylethyl)-2,3-dihydrochromene-8-carboxylic acid
CID 139898972
methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate
CID 102186278

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one?
The IUPAC name of 4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one (CID 122677486) is 4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one is COC1=C(C)C(=O)OC(CCc2ccccc2)C1.
What is the InChIKey of 4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one?
The InChIKey is WRDVGTFKTSIYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11-14(17-2)10-13(18-15(11)16)9-8-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3.
What are the key properties of 4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one?
4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one has a molecular weight of 246.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 122677486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).