5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one

C19H18O5S — CID 15896343

IUPAC5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(S(=O)c3ccc(C)cc3)coc2c1C
InChIInChI=1S/C19H18O5S/c1-11-5-7-13(8-6-11)25(21)16-10-24-19-12(2)14(22-3)9-15(23-4)17(19)18(16)20/h5-10H,1-4H3
InChIKeyGBSQHDLRXVDKMV-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.59
Rot. Bonds4

About 5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one

5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one (PubChem CID 15896343) has the molecular formula C19H18O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one
PubChem CID15896343
Molecular FormulaC19H18O5S
Molecular Weight358.42 g/mol
Exact Mass358.09
IUPAC Name5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(S(=O)c3ccc(C)cc3)coc2c1C
InChIInChI=1S/C19H18O5S/c1-11-5-7-13(8-6-11)25(21)16-10-24-19-12(2)14(22-3)9-15(23-4)17(19)18(16)20/h5-10H,1-4H3
InChIKeyGBSQHDLRXVDKMV-UHFFFAOYSA-N
XLogP3.59
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one?
The IUPAC name of 5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one (CID 15896343) is 5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one?
The canonical SMILES for 5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one is COc1cc(OC)c2c(=O)c(S(=O)c3ccc(C)cc3)coc2c1C.
What is the InChIKey of 5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one?
The InChIKey is GBSQHDLRXVDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5S/c1-11-5-7-13(8-6-11)25(21)16-10-24-19-12(2)14(22-3)9-15(23-4)17(19)18(16)20/h5-10H,1-4H3.
What are the key properties of 5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one?
5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one has a molecular weight of 358.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one is sourced from PubChem (CID 15896343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).