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

C20H15ClO5 — CID 11653601

IUPAC4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCOc3ccc(Cl)cc3)c3ccoc3cc2o1
InChIInChI=1S/C20H15ClO5/c21-13-2-4-14(5-3-13)23-9-1-10-25-20-15-6-7-19(22)26-18(15)12-17-16(20)8-11-24-17/h2-8,11-12H,1,9-10H2
InChIKeyPOFDDBSJPMDKID-UHFFFAOYSA-N
MW370.79 g/mol
LogP5.04
Rot. Bonds6

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

4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one (PubChem CID 11653601) has the molecular formula C20H15ClO5 and a molecular weight of 370.79 g/mol. Its IUPAC name is 4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one
PubChem CID11653601
Molecular FormulaC20H15ClO5
Molecular Weight370.79 g/mol
Exact Mass370.06
IUPAC Name4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCOc3ccc(Cl)cc3)c3ccoc3cc2o1
InChIInChI=1S/C20H15ClO5/c21-13-2-4-14(5-3-13)23-9-1-10-25-20-15-6-7-19(22)26-18(15)12-17-16(20)8-11-24-17/h2-8,11-12H,1,9-10H2
InChIKeyPOFDDBSJPMDKID-UHFFFAOYSA-N
XLogP5.04
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.79
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one?
The IUPAC name of 4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one (CID 11653601) is 4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one is O=c1ccc2c(OCCCOc3ccc(Cl)cc3)c3ccoc3cc2o1.
What is the InChIKey of 4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one?
The InChIKey is POFDDBSJPMDKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO5/c21-13-2-4-14(5-3-13)23-9-1-10-25-20-15-6-7-19(22)26-18(15)12-17-16(20)8-11-24-17/h2-8,11-12H,1,9-10H2.
What are the key properties of 4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one?
4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one has a molecular weight of 370.79 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenoxy)propoxy]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 11653601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).