2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one

C20H16O3 — CID 907369

IUPAC2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one
SMILESCc1oc2c(C)c3oc(=O)cc(C)c3cc2c1-c1ccccc1
InChIInChI=1S/C20H16O3/c1-11-9-17(21)23-19-12(2)20-16(10-15(11)19)18(13(3)22-20)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyCZELABGDACOIFH-UHFFFAOYSA-N
MW304.35 g/mol
LogP5.13
Rot. Bonds1

About 2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one

2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one (PubChem CID 907369) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one
PubChem CID907369
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one
SMILESCc1oc2c(C)c3oc(=O)cc(C)c3cc2c1-c1ccccc1
InChIInChI=1S/C20H16O3/c1-11-9-17(21)23-19-12(2)20-16(10-15(11)19)18(13(3)22-20)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyCZELABGDACOIFH-UHFFFAOYSA-N
XLogP5.13
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one
CID 7273664
3-[(4-benzylpiperazin-1-yl)methyl]-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 59939080
6-methyl-4,5-diphenylpyran-2-one
CID 71359580
2,7-dimethyl-3-phenyl-1-benzofuran-6-ol
CID 58753788
2-benzoyl-3-ethyl-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 631400
9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one
CID 10106552
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 89134120
2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 18612305
N-cyclopropyl-3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanamide
CID 4967833
2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one
CID 122537825
3-tert-butyl-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 907312

Frequently Asked Questions

What is the IUPAC name of 2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one?
The IUPAC name of 2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one (CID 907369) is 2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one is Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1-c1ccccc1.
What is the InChIKey of 2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one?
The InChIKey is CZELABGDACOIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-11-9-17(21)23-19-12(2)20-16(10-15(11)19)18(13(3)22-20)14-7-5-4-6-8-14/h4-10H,1-3H3.
What are the key properties of 2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one?
2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one has a molecular weight of 304.35 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 907369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).