8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one

C11H8O5 — CID 5324556

IUPAC8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one
SMILESO=C(CO)c1coc(=O)c2c(O)cccc12
InChIInChI=1S/C11H8O5/c12-4-9(14)7-5-16-11(15)10-6(7)2-1-3-8(10)13/h1-3,5,12-13H,4H2
InChIKeyWRIZJEREXIDJCC-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.67
Rot. Bonds2

About 8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one

8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one (PubChem CID 5324556) has the molecular formula C11H8O5 and a molecular weight of 220.18 g/mol. Its IUPAC name is 8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one.

Molecular Properties

Compound Name8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one
PubChem CID5324556
Molecular FormulaC11H8O5
Molecular Weight220.18 g/mol
Exact Mass220.04
IUPAC Name8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one
SMILESO=C(CO)c1coc(=O)c2c(O)cccc12
InChIInChI=1S/C11H8O5/c12-4-9(14)7-5-16-11(15)10-6(7)2-1-3-8(10)13/h1-3,5,12-13H,4H2
InChIKeyWRIZJEREXIDJCC-UHFFFAOYSA-N
XLogP0.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one?
The IUPAC name of 8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one (CID 5324556) is 8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one.
What is the SMILES notation for 8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one?
The canonical SMILES for 8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one is O=C(CO)c1coc(=O)c2c(O)cccc12.
What is the InChIKey of 8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one?
The InChIKey is WRIZJEREXIDJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O5/c12-4-9(14)7-5-16-11(15)10-6(7)2-1-3-8(10)13/h1-3,5,12-13H,4H2.
What are the key properties of 8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one?
8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one has a molecular weight of 220.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one is sourced from PubChem (CID 5324556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).