(4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate

C16H14O8 — CID 10830529

IUPAC(4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cc(=O)oc2c(OC)c3occc3c(OC)c12
InChIInChI=1S/C16H14O8/c1-4-21-16(18)23-9-7-10(17)24-14-11(9)12(19-2)8-5-6-22-13(8)15(14)20-3/h5-7H,4H2,1-3H3
InChIKeyHNSZERICKQMMFT-UHFFFAOYSA-N
MW334.28 g/mol
LogP3.09
Rot. Bonds4

About (4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate

(4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate (PubChem CID 10830529) has the molecular formula C16H14O8 and a molecular weight of 334.28 g/mol. Its IUPAC name is (4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate.

Molecular Properties

Compound Name(4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate
PubChem CID10830529
Molecular FormulaC16H14O8
Molecular Weight334.28 g/mol
Exact Mass334.07
IUPAC Name(4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cc(=O)oc2c(OC)c3occc3c(OC)c12
InChIInChI=1S/C16H14O8/c1-4-21-16(18)23-9-7-10(17)24-14-11(9)12(19-2)8-5-6-22-13(8)15(14)20-3/h5-7H,4H2,1-3H3
InChIKeyHNSZERICKQMMFT-UHFFFAOYSA-N
XLogP3.09
TPSA97.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate?
The IUPAC name of (4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate (CID 10830529) is (4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate.
What is the SMILES notation for (4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate?
The canonical SMILES for (4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate is CCOC(=O)Oc1cc(=O)oc2c(OC)c3occc3c(OC)c12.
What is the InChIKey of (4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate?
The InChIKey is HNSZERICKQMMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O8/c1-4-21-16(18)23-9-7-10(17)24-14-11(9)12(19-2)8-5-6-22-13(8)15(14)20-3/h5-7H,4H2,1-3H3.
What are the key properties of (4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate?
(4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate has a molecular weight of 334.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,9-dimethoxy-7-oxofuro[3,2-g]chromen-5-yl) ethyl carbonate is sourced from PubChem (CID 10830529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).