11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione

C19H12O5 — CID 10471228

IUPAC11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione
SMILESCOc1cccc2c1C(=O)c1c(ccc3c(=O)cc(C)oc13)C2=O
InChIInChI=1S/C19H12O5/c1-9-8-13(20)10-6-7-12-16(19(10)24-9)18(22)15-11(17(12)21)4-3-5-14(15)23-2/h3-8H,1-2H3
InChIKeyRRGAABHOHNSLRZ-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.89
Rot. Bonds1

About 11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione

11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione (PubChem CID 10471228) has the molecular formula C19H12O5 and a molecular weight of 320.30 g/mol. Its IUPAC name is 11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione.

Molecular Properties

Compound Name11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione
PubChem CID10471228
Molecular FormulaC19H12O5
Molecular Weight320.30 g/mol
Exact Mass320.07
IUPAC Name11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione
SMILESCOc1cccc2c1C(=O)c1c(ccc3c(=O)cc(C)oc13)C2=O
InChIInChI=1S/C19H12O5/c1-9-8-13(20)10-6-7-12-16(19(10)24-9)18(22)15-11(17(12)21)4-3-5-14(15)23-2/h3-8H,1-2H3
InChIKeyRRGAABHOHNSLRZ-UHFFFAOYSA-N
XLogP2.89
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione?
The IUPAC name of 11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione (CID 10471228) is 11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione.
What is the SMILES notation for 11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione?
The canonical SMILES for 11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione is COc1cccc2c1C(=O)c1c(ccc3c(=O)cc(C)oc13)C2=O.
What is the InChIKey of 11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione?
The InChIKey is RRGAABHOHNSLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O5/c1-9-8-13(20)10-6-7-12-16(19(10)24-9)18(22)15-11(17(12)21)4-3-5-14(15)23-2/h3-8H,1-2H3.
What are the key properties of 11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione?
11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione has a molecular weight of 320.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione is sourced from PubChem (CID 10471228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).