4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

C23H22O6 — CID 42631478

IUPAC4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
SMILESCOc1c2ccoc2c(OCCCCOc2ccccc2)c2oc(=O)cc(C)c12
InChIInChI=1S/C23H22O6/c1-15-14-18(24)29-22-19(15)20(25-2)17-10-13-28-21(17)23(22)27-12-7-6-11-26-16-8-4-3-5-9-16/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3
InChIKeyYBCXPJFFTXDYAK-UHFFFAOYSA-N
MW394.42 g/mol
LogP5.09
Rot. Bonds8

About 4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one (PubChem CID 42631478) has the molecular formula C23H22O6 and a molecular weight of 394.42 g/mol. Its IUPAC name is 4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
PubChem CID42631478
Molecular FormulaC23H22O6
Molecular Weight394.42 g/mol
Exact Mass394.14
IUPAC Name4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
SMILESCOc1c2ccoc2c(OCCCCOc2ccccc2)c2oc(=O)cc(C)c12
InChIInChI=1S/C23H22O6/c1-15-14-18(24)29-22-19(15)20(25-2)17-10-13-28-21(17)23(22)27-12-7-6-11-26-16-8-4-3-5-9-16/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3
InChIKeyYBCXPJFFTXDYAK-UHFFFAOYSA-N
XLogP5.09
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
The IUPAC name of 4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one (CID 42631478) is 4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one is COc1c2ccoc2c(OCCCCOc2ccccc2)c2oc(=O)cc(C)c12.
What is the InChIKey of 4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
The InChIKey is YBCXPJFFTXDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O6/c1-15-14-18(24)29-22-19(15)20(25-2)17-10-13-28-21(17)23(22)27-12-7-6-11-26-16-8-4-3-5-9-16/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3.
What are the key properties of 4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one has a molecular weight of 394.42 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-9-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 42631478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).