11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione

C19H14O7 — CID 11046434

IUPAC11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione
SMILESCOc1cc(OC)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(=O)OC3C
InChIInChI=1S/C19H14O7/c1-7-9-6-11-14(18(22)15(9)19(23)26-7)17(21)13-10(16(11)20)4-8(24-2)5-12(13)25-3/h4-7,22H,1-3H3
InChIKeyRIIKBAQXZPVQQV-UHFFFAOYSA-N
MW354.31 g/mol
LogP2.42
Rot. Bonds2

About 11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione

11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione (PubChem CID 11046434) has the molecular formula C19H14O7 and a molecular weight of 354.31 g/mol. Its IUPAC name is 11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione.

Molecular Properties

Compound Name11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione
PubChem CID11046434
Molecular FormulaC19H14O7
Molecular Weight354.31 g/mol
Exact Mass354.07
IUPAC Name11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione
SMILESCOc1cc(OC)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(=O)OC3C
InChIInChI=1S/C19H14O7/c1-7-9-6-11-14(18(22)15(9)19(23)26-7)17(21)13-10(16(11)20)4-8(24-2)5-12(13)25-3/h4-7,22H,1-3H3
InChIKeyRIIKBAQXZPVQQV-UHFFFAOYSA-N
XLogP2.42
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione?
The IUPAC name of 11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione (CID 11046434) is 11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione.
What is the SMILES notation for 11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione?
The canonical SMILES for 11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione is COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(=O)OC3C.
What is the InChIKey of 11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione?
The InChIKey is RIIKBAQXZPVQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O7/c1-7-9-6-11-14(18(22)15(9)19(23)26-7)17(21)13-10(16(11)20)4-8(24-2)5-12(13)25-3/h4-7,22H,1-3H3.
What are the key properties of 11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione?
11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione has a molecular weight of 354.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione is sourced from PubChem (CID 11046434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).