4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one

C21H24O7 — CID 73050517

IUPAC4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one
SMILESCC(C)(O)C1CCC(C)(O)C(COc2c3ccoc3cc3oc(=O)ccc23)O1
InChIInChI=1S/C21H24O7/c1-20(2,23)16-6-8-21(3,24)17(28-16)11-26-19-12-4-5-18(22)27-15(12)10-14-13(19)7-9-25-14/h4-5,7,9-10,16-17,23-24H,6,8,11H2,1-3H3
InChIKeyPIGJUYQFLILCLL-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.99
Rot. Bonds4

About 4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one

4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one (PubChem CID 73050517) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one
PubChem CID73050517
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one
SMILESCC(C)(O)C1CCC(C)(O)C(COc2c3ccoc3cc3oc(=O)ccc23)O1
InChIInChI=1S/C21H24O7/c1-20(2,23)16-6-8-21(3,24)17(28-16)11-26-19-12-4-5-18(22)27-15(12)10-14-13(19)7-9-25-14/h4-5,7,9-10,16-17,23-24H,6,8,11H2,1-3H3
InChIKeyPIGJUYQFLILCLL-UHFFFAOYSA-N
XLogP2.99
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one 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-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one?
The IUPAC name of 4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one (CID 73050517) is 4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one is CC(C)(O)C1CCC(C)(O)C(COc2c3ccoc3cc3oc(=O)ccc23)O1.
What is the InChIKey of 4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one?
The InChIKey is PIGJUYQFLILCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c1-20(2,23)16-6-8-21(3,24)17(28-16)11-26-19-12-4-5-18(22)27-15(12)10-14-13(19)7-9-25-14/h4-5,7,9-10,16-17,23-24H,6,8,11H2,1-3H3.
What are the key properties of 4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one?
4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one has a molecular weight of 388.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 73050517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).