10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione

C20H16O4 — CID 122183453

IUPAC10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione
SMILESCCCc1cc2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C20H16O4/c1-3-5-11-9-13-10(2)8-14-17(20(13)24-11)19(23)16-12(18(14)22)6-4-7-15(16)21/h4,6-9,21H,3,5H2,1-2H3
InChIKeyZYKJEFBTPDHKBV-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.17
Rot. Bonds2

About 10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione

10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione (PubChem CID 122183453) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione.

Molecular Properties

Compound Name10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione
PubChem CID122183453
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione
SMILESCCCc1cc2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C20H16O4/c1-3-5-11-9-13-10(2)8-14-17(20(13)24-11)19(23)16-12(18(14)22)6-4-7-15(16)21/h4,6-9,21H,3,5H2,1-2H3
InChIKeyZYKJEFBTPDHKBV-UHFFFAOYSA-N
XLogP4.17
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione?
The IUPAC name of 10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione (CID 122183453) is 10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione.
What is the SMILES notation for 10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione?
The canonical SMILES for 10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione is CCCc1cc2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O.
What is the InChIKey of 10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione?
The InChIKey is ZYKJEFBTPDHKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-3-5-11-9-13-10(2)8-14-17(20(13)24-11)19(23)16-12(18(14)22)6-4-7-15(16)21/h4,6-9,21H,3,5H2,1-2H3.
What are the key properties of 10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione?
10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione has a molecular weight of 320.34 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione is sourced from PubChem (CID 122183453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).