(7-oxofuro[3,2-g]chromen-4-yl) acetate

C13H8O5 — CID 802311

IUPAC(7-oxofuro[3,2-g]chromen-4-yl) acetate
SMILESCC(=O)Oc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C13H8O5/c1-7(14)17-13-8-2-3-12(15)18-11(8)6-10-9(13)4-5-16-10/h2-6H,1H3
InChIKeyAZRCRZRFGJXBFW-UHFFFAOYSA-N
MW244.20 g/mol
LogP2.46
Rot. Bonds1

About (7-oxofuro[3,2-g]chromen-4-yl) acetate

(7-oxofuro[3,2-g]chromen-4-yl) acetate (PubChem CID 802311) has the molecular formula C13H8O5 and a molecular weight of 244.20 g/mol. Its IUPAC name is (7-oxofuro[3,2-g]chromen-4-yl) acetate.

Molecular Properties

Compound Name(7-oxofuro[3,2-g]chromen-4-yl) acetate
PubChem CID802311
Molecular FormulaC13H8O5
Molecular Weight244.20 g/mol
Exact Mass244.04
IUPAC Name(7-oxofuro[3,2-g]chromen-4-yl) acetate
SMILESCC(=O)Oc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C13H8O5/c1-7(14)17-13-8-2-3-12(15)18-11(8)6-10-9(13)4-5-16-10/h2-6H,1H3
InChIKeyAZRCRZRFGJXBFW-UHFFFAOYSA-N
XLogP2.46
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate
CID 170648795
(7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate
CID 170648815
4-propoxyfuro[3,2-g]chromen-7-one
CID 86101667
(5-acetyloxy-2-oxochromen-7-yl) acetate
CID 850911
[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] acetate
CID 162940098
[(6S)-2,2,6-trimethyl-5-oxo-6-[2-(7-oxofuro[3,2-g]chromen-4-yl)oxyethyl]pyran-3-yl] acetate
CID 163060127
4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one
CID 142092085
[(6E)-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyocta-2,6-dien-4-yl] acetate
CID 45479858
4-[(2E,5S)-3,5,7-trimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CID 162824890
4-(3,5,7-trimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one
CID 162824889
diethyl-[2-(7-oxofuro[3,2-g]chromen-4-yl)oxyethyl]azanium chloride
CID 5458787
4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one
CID 11588292

Frequently Asked Questions

What is the IUPAC name of (7-oxofuro[3,2-g]chromen-4-yl) acetate?
The IUPAC name of (7-oxofuro[3,2-g]chromen-4-yl) acetate (CID 802311) is (7-oxofuro[3,2-g]chromen-4-yl) acetate.
What is the SMILES notation for (7-oxofuro[3,2-g]chromen-4-yl) acetate?
The canonical SMILES for (7-oxofuro[3,2-g]chromen-4-yl) acetate is CC(=O)Oc1c2ccoc2cc2oc(=O)ccc12.
What is the InChIKey of (7-oxofuro[3,2-g]chromen-4-yl) acetate?
The InChIKey is AZRCRZRFGJXBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O5/c1-7(14)17-13-8-2-3-12(15)18-11(8)6-10-9(13)4-5-16-10/h2-6H,1H3.
What are the key properties of (7-oxofuro[3,2-g]chromen-4-yl) acetate?
(7-oxofuro[3,2-g]chromen-4-yl) acetate has a molecular weight of 244.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxofuro[3,2-g]chromen-4-yl) acetate is sourced from PubChem (CID 802311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).