5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one

C14H10O4S — CID 127033759

IUPAC5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one
SMILESCc1ccsc1-c1cc(=O)c2c(O)cc(O)cc2o1
InChIInChI=1S/C14H10O4S/c1-7-2-3-19-14(7)12-6-10(17)13-9(16)4-8(15)5-11(13)18-12/h2-6,15-16H,1H3
InChIKeyHRFZVSARNZCJRP-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.24
Rot. Bonds1

About 5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one

5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one (PubChem CID 127033759) has the molecular formula C14H10O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one
PubChem CID127033759
Molecular FormulaC14H10O4S
Molecular Weight274.30 g/mol
Exact Mass274.03
IUPAC Name5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one
SMILESCc1ccsc1-c1cc(=O)c2c(O)cc(O)cc2o1
InChIInChI=1S/C14H10O4S/c1-7-2-3-19-14(7)12-6-10(17)13-9(16)4-8(15)5-11(13)18-12/h2-6,15-16H,1H3
InChIKeyHRFZVSARNZCJRP-UHFFFAOYSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-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-Thiophenecarboxy)benzoic acid
CID 65838
2-(2-Thienyl)chromone
CID 240093
2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetic acid
CID 1944908
3-Hydroxy-2-(thiophen-2-yl)-4h-chromen-4-one
CID 254340
4-[3-(3-Acetylthiophen-2-yl)phenyl]-5,7-dimethoxychromen-2-one
CID 6540239
4-[2-Acetyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
CID 11796594
7,9-Dihydroxy-5-oxa-11-thia-benzo[b]fluoren-10-one
CID 12258274
7-Methoxy-3-(thiophen-2-yl)coumarin
CID 54580315
5-Hydroxy-2-(2-thiophen-2-ylethyl)chromen-4-one
CID 76325517
7-Hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid
CID 152727536
(Z)-6-methoxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one
CID 940040
[3-(4-Methylphenoxy)-4-oxochromen-7-yl] thiophene-2-carboxylate
CID 992371

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one (CID 127033759) is 5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one is Cc1ccsc1-c1cc(=O)c2c(O)cc(O)cc2o1.
What is the InChIKey of 5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one?
The InChIKey is HRFZVSARNZCJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4S/c1-7-2-3-19-14(7)12-6-10(17)13-9(16)4-8(15)5-11(13)18-12/h2-6,15-16H,1H3.
What are the key properties of 5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one?
5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one has a molecular weight of 274.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(3-methylthiophen-2-yl)chromen-4-one is sourced from PubChem (CID 127033759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).