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

C21H16O4S — CID 57410655

IUPAC5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1-c1ccsc1
InChIInChI=1S/C21H16O4S/c1-23-17-11-18(24-2)20-15(22)10-16(13-6-4-3-5-7-13)25-21(20)19(17)14-8-9-26-12-14/h3-12H,1-2H3
InChIKeyFMCLSLMXKJOCEQ-UHFFFAOYSA-N
MW364.42 g/mol
LogP5.21
Rot. Bonds4

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

5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one (PubChem CID 57410655) has the molecular formula C21H16O4S and a molecular weight of 364.42 g/mol. Its IUPAC name is 5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one
PubChem CID57410655
Molecular FormulaC21H16O4S
Molecular Weight364.42 g/mol
Exact Mass364.08
IUPAC Name5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1-c1ccsc1
InChIInChI=1S/C21H16O4S/c1-23-17-11-18(24-2)20-15(22)10-16(13-6-4-3-5-7-13)25-21(20)19(17)14-8-9-26-12-14/h3-12H,1-2H3
InChIKeyFMCLSLMXKJOCEQ-UHFFFAOYSA-N
XLogP5.21
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 54769632
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
5,7-dimethoxy-8-(2-methylpropylamino)-2-phenylchromen-4-one
CID 101028407
5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one
CID 175483598
5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 6481172
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857
2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
CID 86239579
7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 178187643
N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide
CID 166063280
8-(3-fluorophenyl)sulfanyl-7-hydroxy-5-methoxy-2-phenylchromen-4-one
CID 153058788
6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
CID 15826150
5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one
CID 71559551

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one?
The IUPAC name of 5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one (CID 57410655) is 5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one?
The canonical SMILES for 5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1-c1ccsc1.
What is the InChIKey of 5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one?
The InChIKey is FMCLSLMXKJOCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4S/c1-23-17-11-18(24-2)20-15(22)10-16(13-6-4-3-5-7-13)25-21(20)19(17)14-8-9-26-12-14/h3-12H,1-2H3.
What are the key properties of 5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one?
5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one has a molecular weight of 364.42 g/mol, XLogP of 5.21, 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-phenyl-8-thiophen-3-ylchromen-4-one is sourced from PubChem (CID 57410655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).