4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one

C21H16O5 — CID 11588292

IUPAC4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one
SMILESO=C(CCOc1c2ccoc2cc2oc(=O)ccc12)Cc1ccccc1
InChIInChI=1S/C21H16O5/c22-15(12-14-4-2-1-3-5-14)8-10-25-21-16-6-7-20(23)26-19(16)13-18-17(21)9-11-24-18/h1-7,9,11,13H,8,10,12H2
InChIKeyJMPLIYPZQMULPB-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.12
Rot. Bonds6

About 4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one

4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one (PubChem CID 11588292) has the molecular formula C21H16O5 and a molecular weight of 348.35 g/mol. Its IUPAC name is 4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one
PubChem CID11588292
Molecular FormulaC21H16O5
Molecular Weight348.35 g/mol
Exact Mass348.10
IUPAC Name4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one
SMILESO=C(CCOc1c2ccoc2cc2oc(=O)ccc12)Cc1ccccc1
InChIInChI=1S/C21H16O5/c22-15(12-14-4-2-1-3-5-14)8-10-25-21-16-6-7-20(23)26-19(16)13-18-17(21)9-11-24-18/h1-7,9,11,13H,8,10,12H2
InChIKeyJMPLIYPZQMULPB-UHFFFAOYSA-N
XLogP4.12
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.12
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 4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one?
The IUPAC name of 4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one (CID 11588292) is 4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one is O=C(CCOc1c2ccoc2cc2oc(=O)ccc12)Cc1ccccc1.
What is the InChIKey of 4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one?
The InChIKey is JMPLIYPZQMULPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O5/c22-15(12-14-4-2-1-3-5-14)8-10-25-21-16-6-7-20(23)26-19(16)13-18-17(21)9-11-24-18/h1-7,9,11,13H,8,10,12H2.
What are the key properties of 4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one?
4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one has a molecular weight of 348.35 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 11588292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).