methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate

C19H14O6 — CID 67721058

IUPACmethyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate
SMILESCOC(=O)C1CC2=C(CO1)C(=O)c1cc3ccccc3c(O)c1C2=O
InChIInChI=1S/C19H14O6/c1-24-19(23)14-7-11-13(8-25-14)16(20)12-6-9-4-2-3-5-10(9)17(21)15(12)18(11)22/h2-6,14,21H,7-8H2,1H3
InChIKeyUEVVFNQVANRARL-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.18
Rot. Bonds1

About methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate

methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate (PubChem CID 67721058) has the molecular formula C19H14O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate
PubChem CID67721058
Molecular FormulaC19H14O6
Molecular Weight338.32 g/mol
Exact Mass338.08
IUPAC Namemethyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate
SMILESCOC(=O)C1CC2=C(CO1)C(=O)c1cc3ccccc3c(O)c1C2=O
InChIInChI=1S/C19H14O6/c1-24-19(23)14-7-11-13(8-25-14)16(20)12-6-9-4-2-3-5-10(9)17(21)15(12)18(11)22/h2-6,14,21H,7-8H2,1H3
InChIKeyUEVVFNQVANRARL-UHFFFAOYSA-N
XLogP2.18
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate?
The IUPAC name of methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate (CID 67721058) is methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate?
The canonical SMILES for methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate is COC(=O)C1CC2=C(CO1)C(=O)c1cc3ccccc3c(O)c1C2=O.
What is the InChIKey of methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate?
The InChIKey is UEVVFNQVANRARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O6/c1-24-19(23)14-7-11-13(8-25-14)16(20)12-6-9-4-2-3-5-10(9)17(21)15(12)18(11)22/h2-6,14,21H,7-8H2,1H3.
What are the key properties of methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate?
methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate has a molecular weight of 338.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-5,12-dioxo-3,4-dihydro-1H-naphtho[2,3-g]isochromene-3-carboxylate is sourced from PubChem (CID 67721058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).