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

C21H18O4 — CID 6603977

IUPAC4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1
InChIInChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2
InChIKeyJJAWGNIQEOFURP-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.94
Rot. Bonds6

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

4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one (PubChem CID 6603977) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one
PubChem CID6603977
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1
InChIInChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2
InChIKeyJJAWGNIQEOFURP-UHFFFAOYSA-N
XLogP4.94
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-phenylbutoxy)furo[3,2-g]chromen-7-one?
The IUPAC name of 4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one (CID 6603977) is 4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one is O=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1.
What is the InChIKey of 4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one?
The InChIKey is JJAWGNIQEOFURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2.
What are the key properties of 4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one?
4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one has a molecular weight of 334.37 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 6603977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).