4-pent-4-ynoxyfuro[3,2-g]chromen-7-one

C16H12O4 — CID 11659029

IUPAC4-pent-4-ynoxyfuro[3,2-g]chromen-7-one
SMILESC#CCCCOc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C16H12O4/c1-2-3-4-8-19-16-11-5-6-15(17)20-14(11)10-13-12(16)7-9-18-13/h1,5-7,9-10H,3-4,8H2
InChIKeyBEOYXUBGQDEHIY-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.33
Rot. Bonds4

About 4-pent-4-ynoxyfuro[3,2-g]chromen-7-one

4-pent-4-ynoxyfuro[3,2-g]chromen-7-one (PubChem CID 11659029) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-pent-4-ynoxyfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-pent-4-ynoxyfuro[3,2-g]chromen-7-one
PubChem CID11659029
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name4-pent-4-ynoxyfuro[3,2-g]chromen-7-one
SMILESC#CCCCOc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C16H12O4/c1-2-3-4-8-19-16-11-5-6-15(17)20-14(11)10-13-12(16)7-9-18-13/h1,5-7,9-10H,3-4,8H2
InChIKeyBEOYXUBGQDEHIY-UHFFFAOYSA-N
XLogP3.33
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.33
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pent-4-ynoxyfuro[3,2-g]chromen-7-one?
The IUPAC name of 4-pent-4-ynoxyfuro[3,2-g]chromen-7-one (CID 11659029) is 4-pent-4-ynoxyfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 4-pent-4-ynoxyfuro[3,2-g]chromen-7-one?
The canonical SMILES for 4-pent-4-ynoxyfuro[3,2-g]chromen-7-one is C#CCCCOc1c2ccoc2cc2oc(=O)ccc12.
What is the InChIKey of 4-pent-4-ynoxyfuro[3,2-g]chromen-7-one?
The InChIKey is BEOYXUBGQDEHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-2-3-4-8-19-16-11-5-6-15(17)20-14(11)10-13-12(16)7-9-18-13/h1,5-7,9-10H,3-4,8H2.
What are the key properties of 4-pent-4-ynoxyfuro[3,2-g]chromen-7-one?
4-pent-4-ynoxyfuro[3,2-g]chromen-7-one has a molecular weight of 268.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-4-ynoxyfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 11659029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).