5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one

C19H12O4S — CID 54769632

IUPAC5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(-c3ccsc3)c(O)cc(O)c12
InChIInChI=1S/C19H12O4S/c20-13-8-14(21)18-15(22)9-16(11-4-2-1-3-5-11)23-19(18)17(13)12-6-7-24-10-12/h1-10,20-21H
InChIKeyZEZIXFVHGXCDIR-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.60
Rot. Bonds2

About 5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one

5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one (PubChem CID 54769632) has the molecular formula C19H12O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one
PubChem CID54769632
Molecular FormulaC19H12O4S
Molecular Weight336.37 g/mol
Exact Mass336.05
IUPAC Name5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(-c3ccsc3)c(O)cc(O)c12
InChIInChI=1S/C19H12O4S/c20-13-8-14(21)18-15(22)9-16(11-4-2-1-3-5-11)23-19(18)17(13)12-6-7-24-10-12/h1-10,20-21H
InChIKeyZEZIXFVHGXCDIR-UHFFFAOYSA-N
XLogP4.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 57410655
8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 163090228
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one
CID 71457402
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 5281903
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one
CID 142673083
CID 172853606
CID 172853606
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one (CID 54769632) is 5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one is O=c1cc(-c2ccccc2)oc2c(-c3ccsc3)c(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one?
The InChIKey is ZEZIXFVHGXCDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O4S/c20-13-8-14(21)18-15(22)9-16(11-4-2-1-3-5-11)23-19(18)17(13)12-6-7-24-10-12/h1-10,20-21H.
What are the key properties of 5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one?
5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one has a molecular weight of 336.37 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one is sourced from PubChem (CID 54769632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).