8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one

C20H14O4 — CID 899915

IUPAC8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(C)c12
InChIInChI=1S/C20H14O4/c1-11-10-16(21)24-20-14(11)8-9-15-17(20)12(2)19(23-15)18(22)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyUEYKQFKCXMRWNW-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.39
Rot. Bonds2

About 8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one

8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one (PubChem CID 899915) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one
PubChem CID899915
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(C)c12
InChIInChI=1S/C20H14O4/c1-11-10-16(21)24-20-14(11)8-9-15-17(20)12(2)19(23-15)18(22)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyUEYKQFKCXMRWNW-UHFFFAOYSA-N
XLogP4.39
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one (CID 899915) is 8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(C)c12.
What is the InChIKey of 8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one?
The InChIKey is UEYKQFKCXMRWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c1-11-10-16(21)24-20-14(11)8-9-15-17(20)12(2)19(23-15)18(22)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one?
8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one has a molecular weight of 318.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 899915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).