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

C21H22O4S — CID 134869092

IUPAC2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one
SMILESCOC1OC(COCc2ccccc2)=C(Sc2ccccc2)C(=O)C1C
InChIInChI=1S/C21H22O4S/c1-15-19(22)20(26-17-11-7-4-8-12-17)18(25-21(15)23-2)14-24-13-16-9-5-3-6-10-16/h3-12,15,21H,13-14H2,1-2H3
InChIKeyCTTSYNPIJLPYMH-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.41
Rot. Bonds7

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

2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one (PubChem CID 134869092) has the molecular formula C21H22O4S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one
PubChem CID134869092
Molecular FormulaC21H22O4S
Molecular Weight370.47 g/mol
Exact Mass370.12
IUPAC Name2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one
SMILESCOC1OC(COCc2ccccc2)=C(Sc2ccccc2)C(=O)C1C
InChIInChI=1S/C21H22O4S/c1-15-19(22)20(26-17-11-7-4-8-12-17)18(25-21(15)23-2)14-24-13-16-9-5-3-6-10-16/h3-12,15,21H,13-14H2,1-2H3
InChIKeyCTTSYNPIJLPYMH-UHFFFAOYSA-N
XLogP4.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-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

6-(Benzyloxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione
CID 3008250
2-[(Benzyloxy)methyl]-5-methyl-3-(phenylsulfanyl)-4H-pyran-4-one
CID 13866691
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
ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate
CID 132514668
2-Methyl-2-(phenylmethoxymethyl)-5-(phenylsulfanylmethyl)furan-3-one
CID 145994763
5-(Benzenesulfinylmethyl)-2-methyl-2-(phenylmethoxymethyl)furan-3-one
CID 145994764
[(2R,4R)-4-acetyloxy-2-ethoxy-5-phenylsulfanyl-3,4-dihydro-2H-pyran-6-yl]methyl benzoate
CID 13896499
6-Methyl-2-phenyl-5-phenylsulfanyl-2,3-dihydropyran-4-one
CID 21770445
[3-(Diacetyloxymethyl)-2-oxothiochromen-4-yl] acetate
CID 15231003

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one?
The IUPAC name of 2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one (CID 134869092) is 2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one is COC1OC(COCc2ccccc2)=C(Sc2ccccc2)C(=O)C1C.
What is the InChIKey of 2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one?
The InChIKey is CTTSYNPIJLPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4S/c1-15-19(22)20(26-17-11-7-4-8-12-17)18(25-21(15)23-2)14-24-13-16-9-5-3-6-10-16/h3-12,15,21H,13-14H2,1-2H3.
What are the key properties of 2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one?
2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one has a molecular weight of 370.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 134869092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).