4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one

C28H24O6 — CID 11669703

IUPAC4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCCCOc3ccc(Oc4ccccc4)cc3)c3ccoc3cc2o1
InChIInChI=1S/C28H24O6/c29-27-14-13-23-26(34-27)19-25-24(15-18-31-25)28(23)32-17-6-2-5-16-30-20-9-11-22(12-10-20)33-21-7-3-1-4-8-21/h1,3-4,7-15,18-19H,2,5-6,16-17H2
InChIKeyNQMOZISGKMVCMC-UHFFFAOYSA-N
MW456.49 g/mol
LogP6.96
Rot. Bonds10

About 4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one

4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one (PubChem CID 11669703) has the molecular formula C28H24O6 and a molecular weight of 456.49 g/mol. Its IUPAC name is 4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one
PubChem CID11669703
Molecular FormulaC28H24O6
Molecular Weight456.49 g/mol
Exact Mass456.16
IUPAC Name4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one
SMILESO=c1ccc2c(OCCCCCOc3ccc(Oc4ccccc4)cc3)c3ccoc3cc2o1
InChIInChI=1S/C28H24O6/c29-27-14-13-23-26(34-27)19-25-24(15-18-31-25)28(23)32-17-6-2-5-16-30-20-9-11-22(12-10-20)33-21-7-3-1-4-8-21/h1,3-4,7-15,18-19H,2,5-6,16-17H2
InChIKeyNQMOZISGKMVCMC-UHFFFAOYSA-N
XLogP6.96
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 56.96
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-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one?
The IUPAC name of 4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one (CID 11669703) is 4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one is O=c1ccc2c(OCCCCCOc3ccc(Oc4ccccc4)cc3)c3ccoc3cc2o1.
What is the InChIKey of 4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one?
The InChIKey is NQMOZISGKMVCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O6/c29-27-14-13-23-26(34-27)19-25-24(15-18-31-25)28(23)32-17-6-2-5-16-30-20-9-11-22(12-10-20)33-21-7-3-1-4-8-21/h1,3-4,7-15,18-19H,2,5-6,16-17H2.
What are the key properties of 4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one?
4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one has a molecular weight of 456.49 g/mol, XLogP of 6.96, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 11669703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).