5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one

C20H16O4 — CID 707772

IUPAC5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one
SMILESCOc1ccc(-c2cc(=O)oc3c(C)c4occ(C)c4cc23)cc1
InChIInChI=1S/C20H16O4/c1-11-10-23-19-12(2)20-17(8-15(11)19)16(9-18(21)24-20)13-4-6-14(22-3)7-5-13/h4-10H,1-3H3
InChIKeyXAMPSLQPWGFHRV-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.83
Rot. Bonds2

About 5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one

5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one (PubChem CID 707772) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one
PubChem CID707772
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one
SMILESCOc1ccc(-c2cc(=O)oc3c(C)c4occ(C)c4cc23)cc1
InChIInChI=1S/C20H16O4/c1-11-10-23-19-12(2)20-17(8-15(11)19)16(9-18(21)24-20)13-4-6-14(22-3)7-5-13/h4-10H,1-3H3
InChIKeyXAMPSLQPWGFHRV-UHFFFAOYSA-N
XLogP4.83
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-hexyl-3-(4-methoxyphenyl)-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 3737351
3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
CID 707742
3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one
CID 122537743
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
7-(4-methoxyphenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one
CID 25147894
ethyl (2R)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxypropanoate
CID 1332926
4-(4-methoxyphenyl)-8-methyl-7-[(1S)-2-oxocyclohexyl]oxychromen-2-one
CID 2034735
3,6,7,9-tetramethylfuro[3,2-g]chromen-5-one
CID 14089863
3-tert-butyl-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 907312
3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4913878
4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one
CID 2926955
N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
CID 4967565

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one (CID 707772) is 5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one is COc1ccc(-c2cc(=O)oc3c(C)c4occ(C)c4cc23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one?
The InChIKey is XAMPSLQPWGFHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-11-10-23-19-12(2)20-17(8-15(11)19)16(9-18(21)24-20)13-4-6-14(22-3)7-5-13/h4-10H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one?
5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one has a molecular weight of 320.34 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 707772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).