2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione

C18H14O8 — CID 10642118

About 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione

2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione (PubChem CID 10642118) has the molecular formula C18H14O8 and a molecular weight of 358.30 g/mol. Its IUPAC name is 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione.

Molecular Properties

• Compound Name: 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione
• PubChem CID: 10642118
• Molecular Formula: C18H14O8
• Molecular Weight: 358.30 g/mol
• Exact Mass: 358.07
• IUPAC Name: 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione
• SMILES: CC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O1
• InChI: InChI=1S/C18H14O8/c1-18(25)5-10(21)14-11(26-18)4-8-13(17(14)24)16(23)12-7(15(8)22)2-6(19)3-9(12)20/h2-4,10,19-21,24-25H,5H2,1H3
• InChIKey: BCYZJGHFTIQGMP-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 144.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.30
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione?

The IUPAC name of 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione (CID 10642118) is 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione.

What is the SMILES notation for 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione?

The canonical SMILES for 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione is CC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O1.

What is the InChIKey of 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione?

The InChIKey is BCYZJGHFTIQGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O8/c1-18(25)5-10(21)14-11(26-18)4-8-13(17(14)24)16(23)12-7(15(8)22)2-6(19)3-9(12)20/h2-4,10,19-21,24-25H,5H2,1H3.

What are the key properties of 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione?

2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione has a molecular weight of 358.30 g/mol, XLogP of 1.10, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione is sourced from PubChem (CID 10642118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).