2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate

C16H16O6 — CID 131835378

IUPAC2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)C1Oc2ccc3ccc(=O)oc3c2C1O
InChIInChI=1S/C16H16O6/c1-8(17)22-16(2,3)15-13(19)12-10(20-15)6-4-9-5-7-11(18)21-14(9)12/h4-7,13,15,19H,1-3H3
InChIKeyGZMKMMSCOHLOLH-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.93
Rot. Bonds2

About 2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate

2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate (PubChem CID 131835378) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate.

Molecular Properties

Compound Name2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate
PubChem CID131835378
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)C1Oc2ccc3ccc(=O)oc3c2C1O
InChIInChI=1S/C16H16O6/c1-8(17)22-16(2,3)15-13(19)12-10(20-15)6-4-9-5-7-11(18)21-14(9)12/h4-7,13,15,19H,1-3H3
InChIKeyGZMKMMSCOHLOLH-UHFFFAOYSA-N
XLogP1.93
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate 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 2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate?
The IUPAC name of 2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate (CID 131835378) is 2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate.
What is the SMILES notation for 2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate?
The canonical SMILES for 2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate is CC(=O)OC(C)(C)C1Oc2ccc3ccc(=O)oc3c2C1O.
What is the InChIKey of 2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate?
The InChIKey is GZMKMMSCOHLOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-8(17)22-16(2,3)15-13(19)12-10(20-15)6-4-9-5-7-11(18)21-14(9)12/h4-7,13,15,19H,1-3H3.
What are the key properties of 2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate?
2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate has a molecular weight of 304.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate is sourced from PubChem (CID 131835378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).