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

C18H16O5S — CID 22906454

IUPAC5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(Sc3ccccc3OC)oc2c1
InChIInChI=1S/C18H16O5S/c1-20-11-8-14(22-3)18-12(19)10-17(23-15(18)9-11)24-16-7-5-4-6-13(16)21-2/h4-10H,1-3H3
InChIKeyCIQGILUCNIFZCF-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.97
Rot. Bonds5

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

5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one (PubChem CID 22906454) has the molecular formula C18H16O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one
PubChem CID22906454
Molecular FormulaC18H16O5S
Molecular Weight344.39 g/mol
Exact Mass344.07
IUPAC Name5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(Sc3ccccc3OC)oc2c1
InChIInChI=1S/C18H16O5S/c1-20-11-8-14(22-3)18-12(19)10-17(23-15(18)9-11)24-16-7-5-4-6-13(16)21-2/h4-10H,1-3H3
InChIKeyCIQGILUCNIFZCF-UHFFFAOYSA-N
XLogP3.97
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-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-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one
CID 22906521
5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one
CID 22906461
2-(4-chlorophenyl)sulfanyl-5,7-dimethoxychromen-4-one
CID 22906479
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
2-cyclopenta-2,4-dien-1-yl-5,7-dimethoxychromen-4-one;cyclopentane;iron
CID 87386931
5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 74927743
5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
CID 54102075
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
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one?
The IUPAC name of 5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one (CID 22906454) is 5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one?
The canonical SMILES for 5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one is COc1cc(OC)c2c(=O)cc(Sc3ccccc3OC)oc2c1.
What is the InChIKey of 5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one?
The InChIKey is CIQGILUCNIFZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5S/c1-20-11-8-14(22-3)18-12(19)10-17(23-15(18)9-11)24-16-7-5-4-6-13(16)21-2/h4-10H,1-3H3.
What are the key properties of 5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one?
5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one has a molecular weight of 344.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one is sourced from PubChem (CID 22906454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).