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

C23H22O7 — CID 42631145

IUPAC4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
SMILESCOc1c2occc2c(OC)c2c(OCCCCOc3ccccc3)cc(=O)oc12
InChIInChI=1S/C23H22O7/c1-25-20-16-10-13-29-21(16)23(26-2)22-19(20)17(14-18(24)30-22)28-12-7-6-11-27-15-8-4-3-5-9-15/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3
InChIKeyYJSFGKLFCJHZPF-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.79
Rot. Bonds9

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

4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one (PubChem CID 42631145) has the molecular formula C23H22O7 and a molecular weight of 410.42 g/mol. Its IUPAC name is 4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
PubChem CID42631145
Molecular FormulaC23H22O7
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
SMILESCOc1c2occc2c(OC)c2c(OCCCCOc3ccccc3)cc(=O)oc12
InChIInChI=1S/C23H22O7/c1-25-20-16-10-13-29-21(16)23(26-2)22-19(20)17(14-18(24)30-22)28-12-7-6-11-27-15-8-4-3-5-9-15/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3
InChIKeyYJSFGKLFCJHZPF-UHFFFAOYSA-N
XLogP4.79
TPSA80.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
The IUPAC name of 4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one (CID 42631145) is 4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
The canonical SMILES for 4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one is COc1c2occc2c(OC)c2c(OCCCCOc3ccccc3)cc(=O)oc12.
What is the InChIKey of 4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
The InChIKey is YJSFGKLFCJHZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O7/c1-25-20-16-10-13-29-21(16)23(26-2)22-19(20)17(14-18(24)30-22)28-12-7-6-11-27-15-8-4-3-5-9-15/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3.
What are the key properties of 4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one?
4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one has a molecular weight of 410.42 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxy-5-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 42631145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).