8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one

C21H17NO4 — CID 171390763

IUPAC8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(-c4cc(C)c[nH]4)cc(O)c3o2)cc1
InChIInChI=1S/C21H17NO4/c1-12-7-17(22-11-12)14-8-16-18(23)10-20(26-21(16)19(24)9-14)13-3-5-15(25-2)6-4-13/h3-11,22,24H,1-2H3
InChIKeyXODGUTVHLUUSOD-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.48
Rot. Bonds3

About 8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one

8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one (PubChem CID 171390763) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one.

Molecular Properties

Compound Name8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one
PubChem CID171390763
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(-c4cc(C)c[nH]4)cc(O)c3o2)cc1
InChIInChI=1S/C21H17NO4/c1-12-7-17(22-11-12)14-8-16-18(23)10-20(26-21(16)19(24)9-14)13-3-5-15(25-2)6-4-13/h3-11,22,24H,1-2H3
InChIKeyXODGUTVHLUUSOD-UHFFFAOYSA-N
XLogP4.48
TPSA75.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one?
The IUPAC name of 8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one (CID 171390763) is 8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one.
What is the SMILES notation for 8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one?
The canonical SMILES for 8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one is COc1ccc(-c2cc(=O)c3cc(-c4cc(C)c[nH]4)cc(O)c3o2)cc1.
What is the InChIKey of 8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one?
The InChIKey is XODGUTVHLUUSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-12-7-17(22-11-12)14-8-16-18(23)10-20(26-21(16)19(24)9-14)13-3-5-15(25-2)6-4-13/h3-11,22,24H,1-2H3.
What are the key properties of 8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one?
8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one has a molecular weight of 347.37 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one is sourced from PubChem (CID 171390763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).