7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one

C22H20O5 — CID 42631362

IUPAC7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one
SMILESCc1cc(=O)c2c(OCCCCOc3ccccc3)c3ccoc3cc2o1
InChIInChI=1S/C22H20O5/c1-15-13-18(23)21-20(27-15)14-19-17(9-12-25-19)22(21)26-11-6-5-10-24-16-7-3-2-4-8-16/h2-4,7-9,12-14H,5-6,10-11H2,1H3
InChIKeyBDBJKNRRGOABLZ-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.09
Rot. Bonds7

About 7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one

7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one (PubChem CID 42631362) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one.

Molecular Properties

Compound Name7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one
PubChem CID42631362
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one
SMILESCc1cc(=O)c2c(OCCCCOc3ccccc3)c3ccoc3cc2o1
InChIInChI=1S/C22H20O5/c1-15-13-18(23)21-20(27-15)14-19-17(9-12-25-19)22(21)26-11-6-5-10-24-16-7-3-2-4-8-16/h2-4,7-9,12-14H,5-6,10-11H2,1H3
InChIKeyBDBJKNRRGOABLZ-UHFFFAOYSA-N
XLogP5.09
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one?
The IUPAC name of 7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one (CID 42631362) is 7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one.
What is the SMILES notation for 7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one?
The canonical SMILES for 7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one is Cc1cc(=O)c2c(OCCCCOc3ccccc3)c3ccoc3cc2o1.
What is the InChIKey of 7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one?
The InChIKey is BDBJKNRRGOABLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-15-13-18(23)21-20(27-15)14-19-17(9-12-25-19)22(21)26-11-6-5-10-24-16-7-3-2-4-8-16/h2-4,7-9,12-14H,5-6,10-11H2,1H3.
What are the key properties of 7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one?
7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one has a molecular weight of 364.40 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one is sourced from PubChem (CID 42631362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).