11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione

C16H12O7 — CID 146684179

IUPAC11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione
SMILESCOC(O)=c1cc(C)cc2c1=C(O)c1c(ccoc(=O)c1=O)O2
InChIInChI=1S/C16H12O7/c1-7-5-8(15(19)21-2)11-10(6-7)23-9-3-4-22-16(20)14(18)12(9)13(11)17/h3-6,17,19H,1-2H3
InChIKeySGPODDXDUMJRES-UHFFFAOYSA-N
MW316.27 g/mol
LogP0.40
Rot. Bonds1

About 11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione

11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione (PubChem CID 146684179) has the molecular formula C16H12O7 and a molecular weight of 316.27 g/mol. Its IUPAC name is 11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione.

Molecular Properties

Compound Name11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione
PubChem CID146684179
Molecular FormulaC16H12O7
Molecular Weight316.27 g/mol
Exact Mass316.06
IUPAC Name11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione
SMILESCOC(O)=c1cc(C)cc2c1=C(O)c1c(ccoc(=O)c1=O)O2
InChIInChI=1S/C16H12O7/c1-7-5-8(15(19)21-2)11-10(6-7)23-9-3-4-22-16(20)14(18)12(9)13(11)17/h3-6,17,19H,1-2H3
InChIKeySGPODDXDUMJRES-UHFFFAOYSA-N
XLogP0.40
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione?
The IUPAC name of 11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione (CID 146684179) is 11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione.
What is the SMILES notation for 11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione?
The canonical SMILES for 11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione is COC(O)=c1cc(C)cc2c1=C(O)c1c(ccoc(=O)c1=O)O2.
What is the InChIKey of 11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione?
The InChIKey is SGPODDXDUMJRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O7/c1-7-5-8(15(19)21-2)11-10(6-7)23-9-3-4-22-16(20)14(18)12(9)13(11)17/h3-6,17,19H,1-2H3.
What are the key properties of 11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione?
11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione has a molecular weight of 316.27 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione is sourced from PubChem (CID 146684179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).