8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

C23H14O5 — CID 44553196

IUPAC8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccco3)c(-c3ccccc3)c12
InChIInChI=1S/C23H14O5/c1-13-12-18(24)28-22-15(13)9-10-16-20(22)19(14-6-3-2-4-7-14)23(27-16)21(25)17-8-5-11-26-17/h2-12H,1H3
InChIKeyUKJKRVMVVBQEQZ-UHFFFAOYSA-N
MW370.36 g/mol
LogP5.34
Rot. Bonds3

About 8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (PubChem CID 44553196) has the molecular formula C23H14O5 and a molecular weight of 370.36 g/mol. Its IUPAC name is 8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
PubChem CID44553196
Molecular FormulaC23H14O5
Molecular Weight370.36 g/mol
Exact Mass370.08
IUPAC Name8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccco3)c(-c3ccccc3)c12
InChIInChI=1S/C23H14O5/c1-13-12-18(24)28-22-15(13)9-10-16-20(22)19(14-6-3-2-4-7-14)23(27-16)21(25)17-8-5-11-26-17/h2-12H,1H3
InChIKeyUKJKRVMVVBQEQZ-UHFFFAOYSA-N
XLogP5.34
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.36
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (CID 44553196) is 8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccco3)c(-c3ccccc3)c12.
What is the InChIKey of 8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is UKJKRVMVVBQEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O5/c1-13-12-18(24)28-22-15(13)9-10-16-20(22)19(14-6-3-2-4-7-14)23(27-16)21(25)17-8-5-11-26-17/h2-12H,1H3.
What are the key properties of 8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 370.36 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 44553196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).