8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one

C14H10O5 — CID 91638443

IUPAC8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
SMILESO=C1CC(c2ccco2)c2cc3c(cc2O1)OCO3
InChIInChI=1S/C14H10O5/c15-14-5-9(10-2-1-3-16-10)8-4-12-13(18-7-17-12)6-11(8)19-14/h1-4,6,9H,5,7H2
InChIKeyHRSWRKCLMQWMAZ-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.45
Rot. Bonds1

About 8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one

8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one (PubChem CID 91638443) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one.

Molecular Properties

Compound Name8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
PubChem CID91638443
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
SMILESO=C1CC(c2ccco2)c2cc3c(cc2O1)OCO3
InChIInChI=1S/C14H10O5/c15-14-5-9(10-2-1-3-16-10)8-4-12-13(18-7-17-12)6-11(8)19-14/h1-4,6,9H,5,7H2
InChIKeyHRSWRKCLMQWMAZ-UHFFFAOYSA-N
XLogP2.45
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
The IUPAC name of 8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one (CID 91638443) is 8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one.
What is the SMILES notation for 8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
The canonical SMILES for 8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one is O=C1CC(c2ccco2)c2cc3c(cc2O1)OCO3.
What is the InChIKey of 8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
The InChIKey is HRSWRKCLMQWMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c15-14-5-9(10-2-1-3-16-10)8-4-12-13(18-7-17-12)6-11(8)19-14/h1-4,6,9H,5,7H2.
What are the key properties of 8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one has a molecular weight of 258.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one is sourced from PubChem (CID 91638443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).