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

C21H18O5 — CID 11302540

IUPAC4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1
InChIInChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
InChIKeyKINMYBBFQRSVLL-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.78
Rot. Bonds7

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

4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one (PubChem CID 11302540) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
PubChem CID11302540
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1
InChIInChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
InChIKeyKINMYBBFQRSVLL-UHFFFAOYSA-N
XLogP4.78
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
The IUPAC name of 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one (CID 11302540) is 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one is O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1.
What is the InChIKey of 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
The InChIKey is KINMYBBFQRSVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2.
What are the key properties of 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one has a molecular weight of 350.37 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 11302540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).