6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one

C22H24O4S — CID 57260453

IUPAC6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one
SMILESCCOC1=C(C)C(=O)C(Sc2ccccc2)C(COCc2ccccc2)O1
InChIInChI=1S/C22H24O4S/c1-3-25-22-16(2)20(23)21(27-18-12-8-5-9-13-18)19(26-22)15-24-14-17-10-6-4-7-11-17/h4-13,19,21H,3,14-15H2,1-2H3
InChIKeyTWNQVKLJNPLMPP-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.60
Rot. Bonds8

About 6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one

6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one (PubChem CID 57260453) has the molecular formula C22H24O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one
PubChem CID57260453
Molecular FormulaC22H24O4S
Molecular Weight384.50 g/mol
Exact Mass384.14
IUPAC Name6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one
SMILESCCOC1=C(C)C(=O)C(Sc2ccccc2)C(COCc2ccccc2)O1
InChIInChI=1S/C22H24O4S/c1-3-25-22-16(2)20(23)21(27-18-12-8-5-9-13-18)19(26-22)15-24-14-17-10-6-4-7-11-17/h4-13,19,21H,3,14-15H2,1-2H3
InChIKeyTWNQVKLJNPLMPP-UHFFFAOYSA-N
XLogP4.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Benzyloxy)methyl]-5-methyl-3-(phenylsulfanyl)-4H-pyran-4-one
CID 13866691
5-Hydroxy-6-phenylmethoxy-3-phenylsulfanylhexan-2-one
CID 10758831
(2-Methoxy-1-phenyl-2-phenylsulfanylethyl) acetate
CID 13215965
2-Ethoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one
CID 13866689
6-Methyl-2-(phenylmethoxymethyl)-3-phenylsulfanylpyran-4-one
CID 13866690
6-(Phenylmethoxymethyl)-5-phenylsulfanyl-2,3,3a,7a-tetrahydrofuro[2,3-b]pyran-4-one
CID 13866696
5-(2-Hydroxyethyl)-2-(phenylmethoxymethyl)-3-phenylsulfanylpyran-4-one
CID 13866697
(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-5-(phenylsulfanylmethyl)-1,3-dioxolane
CID 15032888
2-Methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one
CID 134869092
(4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-5-[(Z,1R)-1-phenylsulfanylnon-2-enyl]-1,3-dioxolane
CID 135019233
2-Methyl-2-(phenylmethoxymethyl)-5-(phenylsulfanylmethyl)furan-3-one
CID 145994763
5-(Benzenesulfinylmethyl)-2-methyl-2-(phenylmethoxymethyl)furan-3-one
CID 145994764

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one?
The IUPAC name of 6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one (CID 57260453) is 6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one?
The canonical SMILES for 6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one is CCOC1=C(C)C(=O)C(Sc2ccccc2)C(COCc2ccccc2)O1.
What is the InChIKey of 6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one?
The InChIKey is TWNQVKLJNPLMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4S/c1-3-25-22-16(2)20(23)21(27-18-12-8-5-9-13-18)19(26-22)15-24-14-17-10-6-4-7-11-17/h4-13,19,21H,3,14-15H2,1-2H3.
What are the key properties of 6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one?
6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one has a molecular weight of 384.50 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-2-(phenylmethoxymethyl)-3-phenylsulfanyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 57260453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).