3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione

C12H10O7 — CID 58389356

IUPAC3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione
SMILESCOc1ccc2c(c1)OC(=O)C(O)(C(=O)CO)C2=O
InChIInChI=1S/C12H10O7/c1-18-6-2-3-7-8(4-6)19-11(16)12(17,10(7)15)9(14)5-13/h2-4,13,17H,5H2,1H3
InChIKeyMPEHGEAKQPSZON-UHFFFAOYSA-N
MW266.20 g/mol
LogP-0.91
Rot. Bonds3

About 3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione

3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione (PubChem CID 58389356) has the molecular formula C12H10O7 and a molecular weight of 266.20 g/mol. Its IUPAC name is 3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione
PubChem CID58389356
Molecular FormulaC12H10O7
Molecular Weight266.20 g/mol
Exact Mass266.04
IUPAC Name3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione
SMILESCOc1ccc2c(c1)OC(=O)C(O)(C(=O)CO)C2=O
InChIInChI=1S/C12H10O7/c1-18-6-2-3-7-8(4-6)19-11(16)12(17,10(7)15)9(14)5-13/h2-4,13,17H,5H2,1H3
InChIKeyMPEHGEAKQPSZON-UHFFFAOYSA-N
XLogP-0.91
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione 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 3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione?
The IUPAC name of 3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione (CID 58389356) is 3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione.
What is the SMILES notation for 3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione?
The canonical SMILES for 3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione is COc1ccc2c(c1)OC(=O)C(O)(C(=O)CO)C2=O.
What is the InChIKey of 3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione?
The InChIKey is MPEHGEAKQPSZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O7/c1-18-6-2-3-7-8(4-6)19-11(16)12(17,10(7)15)9(14)5-13/h2-4,13,17H,5H2,1H3.
What are the key properties of 3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione?
3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione has a molecular weight of 266.20 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-hydroxyacetyl)-7-methoxychromene-2,4-dione is sourced from PubChem (CID 58389356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).