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

C22H19NO4 — CID 171390778

IUPAC8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(-c4cc(C)c[nH]4)cc(OC)c3o2)cc1
InChIInChI=1S/C22H19NO4/c1-13-8-18(23-12-13)15-9-17-19(24)11-20(27-22(17)21(10-15)26-3)14-4-6-16(25-2)7-5-14/h4-12,23H,1-3H3
InChIKeySDPFLVSFFIODMD-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.78
Rot. Bonds4

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

8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one (PubChem CID 171390778) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one.

Molecular Properties

Compound Name8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one
PubChem CID171390778
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(-c4cc(C)c[nH]4)cc(OC)c3o2)cc1
InChIInChI=1S/C22H19NO4/c1-13-8-18(23-12-13)15-9-17-19(24)11-20(27-22(17)21(10-15)26-3)14-4-6-16(25-2)7-5-14/h4-12,23H,1-3H3
InChIKeySDPFLVSFFIODMD-UHFFFAOYSA-N
XLogP4.78
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-difluoro-2-(4-methoxyphenyl)chromen-4-one
CID 171716334
6,8-diamino-2-(4-methoxyphenyl)chromen-4-one
CID 139992876
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 44584772
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799946
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one?
The IUPAC name of 8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one (CID 171390778) is 8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one.
What is the SMILES notation for 8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one?
The canonical SMILES for 8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one is COc1ccc(-c2cc(=O)c3cc(-c4cc(C)c[nH]4)cc(OC)c3o2)cc1.
What is the InChIKey of 8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one?
The InChIKey is SDPFLVSFFIODMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-13-8-18(23-12-13)15-9-17-19(24)11-20(27-22(17)21(10-15)26-3)14-4-6-16(25-2)7-5-14/h4-12,23H,1-3H3.
What are the key properties of 8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one?
8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one has a molecular weight of 361.40 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one is sourced from PubChem (CID 171390778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).