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

C19H14O4 — CID 707742

IUPAC3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
SMILESCOc1ccc(-c2coc3cc4oc(=O)cc(C)c4cc23)cc1
InChIInChI=1S/C19H14O4/c1-11-7-19(20)23-18-9-17-15(8-14(11)18)16(10-22-17)12-3-5-13(21-2)6-4-12/h3-10H,1-2H3
InChIKeyJJYXDDJOEOVJAD-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.52
Rot. Bonds2

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

3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one (PubChem CID 707742) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
PubChem CID707742
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
SMILESCOc1ccc(-c2coc3cc4oc(=O)cc(C)c4cc23)cc1
InChIInChI=1S/C19H14O4/c1-11-7-19(20)23-18-9-17-15(8-14(11)18)16(10-22-17)12-3-5-13(21-2)6-4-12/h3-10H,1-2H3
InChIKeyJJYXDDJOEOVJAD-UHFFFAOYSA-N
XLogP4.52
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.52
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

3-(4-bromophenyl)-5-methylfuro[3,2-g]chromen-7-one
CID 1325577
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
7-methoxy-3-(4-methoxyphenyl)-6-methylchromen-4-one
CID 57363360
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one
CID 57040654
5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one
CID 707772
CID 89094398
CID 89094398
5-bromo-3-(4-methoxyphenyl)-1-benzofuran
CID 58123254
7-methoxy-4-methyl-6-phenylchromen-2-one
CID 102307411
3-(4-chlorophenyl)-6-methoxy-1-benzofuran
CID 69171668
2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N'-(4-methoxyphenyl)sulfonylacetohydrazide
CID 163360040
3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione
CID 15320936

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one (CID 707742) is 3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one is COc1ccc(-c2coc3cc4oc(=O)cc(C)c4cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one?
The InChIKey is JJYXDDJOEOVJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-11-7-19(20)23-18-9-17-15(8-14(11)18)16(10-22-17)12-3-5-13(21-2)6-4-12/h3-10H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one?
3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one has a molecular weight of 306.32 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 707742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).