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

C21H18O5 — CID 42631368

IUPAC4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one
SMILESO=c1ccoc2cc3occc3c(OCCCCOc3ccccc3)c12
InChIInChI=1S/C21H18O5/c22-17-9-13-25-19-14-18-16(8-12-24-18)21(20(17)19)26-11-5-4-10-23-15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2
InChIKeySISLNMPYYYCLEE-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.78
Rot. Bonds7

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

4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one (PubChem CID 42631368) 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-5-one.

Molecular Properties

Compound Name4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one
PubChem CID42631368
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one
SMILESO=c1ccoc2cc3occc3c(OCCCCOc3ccccc3)c12
InChIInChI=1S/C21H18O5/c22-17-9-13-25-19-14-18-16(8-12-24-18)21(20(17)19)26-11-5-4-10-23-15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2
InChIKeySISLNMPYYYCLEE-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'}

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

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

Launch Full Analysis

Related Compounds

Trimethylpsoralen
CID 5585
Bergapten
CID 2355
Psoralen
CID 6199
Imperatorin
CID 10212
Isopsoralen
CID 10658
Isoimperatorin
CID 68081
Ipriflavone
CID 3747
Khellin
CID 3828
Coumestrol
CID 5281707
Phellopterin
CID 98608
Isobergapten
CID 68082
Bergamottin
CID 5471349

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one?
The IUPAC name of 4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one (CID 42631368) is 4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one.
What is the SMILES notation for 4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one?
The canonical SMILES for 4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one is O=c1ccoc2cc3occc3c(OCCCCOc3ccccc3)c12.
What is the InChIKey of 4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one?
The InChIKey is SISLNMPYYYCLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c22-17-9-13-25-19-14-18-16(8-12-24-18)21(20(17)19)26-11-5-4-10-23-15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2.
What are the key properties of 4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-one?
4-(4-phenoxybutoxy)furo[3,2-g]chromen-5-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-5-one is sourced from PubChem (CID 42631368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).