4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one

C18H22O6 — CID 10544684

IUPAC4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESCCCOCc1cc(=O)c2c(O)c3c(cc2o1)OC(C(C)(C)O)C3
InChIInChI=1S/C18H22O6/c1-4-5-22-9-10-6-12(19)16-14(23-10)8-13-11(17(16)20)7-15(24-13)18(2,3)21/h6,8,15,20-21H,4-5,7,9H2,1-3H3
InChIKeySTZPTJFGXOUHIW-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.50
Rot. Bonds5

About 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one

4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one (PubChem CID 10544684) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
PubChem CID10544684
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESCCCOCc1cc(=O)c2c(O)c3c(cc2o1)OC(C(C)(C)O)C3
InChIInChI=1S/C18H22O6/c1-4-5-22-9-10-6-12(19)16-14(23-10)8-13-11(17(16)20)7-15(24-13)18(2,3)21/h6,8,15,20-21H,4-5,7,9H2,1-3H3
InChIKeySTZPTJFGXOUHIW-UHFFFAOYSA-N
XLogP2.50
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Formononetin
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Phlorizin
CID 6072

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one?
The IUPAC name of 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one (CID 10544684) is 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one.
What is the SMILES notation for 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one?
The canonical SMILES for 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one is CCCOCc1cc(=O)c2c(O)c3c(cc2o1)OC(C(C)(C)O)C3.
What is the InChIKey of 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one?
The InChIKey is STZPTJFGXOUHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6/c1-4-5-22-9-10-6-12(19)16-14(23-10)8-13-11(17(16)20)7-15(24-13)18(2,3)21/h6,8,15,20-21H,4-5,7,9H2,1-3H3.
What are the key properties of 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one?
4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one has a molecular weight of 334.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one is sourced from PubChem (CID 10544684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).