5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one

C18H16O4S — CID 22906461

IUPAC5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(Sc3ccccc3C)oc2c1
InChIInChI=1S/C18H16O4S/c1-11-6-4-5-7-16(11)23-17-10-13(19)18-14(21-3)8-12(20-2)9-15(18)22-17/h4-10H,1-3H3
InChIKeyGKGXWFJYGRRBIX-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.27
Rot. Bonds4

About 5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one

5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one (PubChem CID 22906461) has the molecular formula C18H16O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one
PubChem CID22906461
Molecular FormulaC18H16O4S
Molecular Weight328.39 g/mol
Exact Mass328.08
IUPAC Name5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(Sc3ccccc3C)oc2c1
InChIInChI=1S/C18H16O4S/c1-11-6-4-5-7-16(11)23-17-10-13(19)18-14(21-3)8-12(20-2)9-15(18)22-17/h4-10H,1-3H3
InChIKeyGKGXWFJYGRRBIX-UHFFFAOYSA-N
XLogP4.27
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one
CID 22906454
2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one
CID 22906521
2-(4-chlorophenyl)sulfanyl-5,7-dimethoxychromen-4-one
CID 22906479
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
2-cyclopenta-2,4-dien-1-yl-5,7-dimethoxychromen-4-one;cyclopentane;iron
CID 87386931
5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
CID 54102075
5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 74927743
2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
CID 159111191
2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one
CID 74927684
5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one
CID 127042921
(3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone
CID 3715030

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one?
The IUPAC name of 5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one (CID 22906461) is 5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one?
The canonical SMILES for 5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one is COc1cc(OC)c2c(=O)cc(Sc3ccccc3C)oc2c1.
What is the InChIKey of 5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one?
The InChIKey is GKGXWFJYGRRBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4S/c1-11-6-4-5-7-16(11)23-17-10-13(19)18-14(21-3)8-12(20-2)9-15(18)22-17/h4-10H,1-3H3.
What are the key properties of 5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one?
5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one has a molecular weight of 328.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one is sourced from PubChem (CID 22906461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).