(8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione

C18H14O3 — CID 14414396

IUPAC(8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione
SMILESCc1cccc2c3c(ccc12)C(=O)C1=C(OC[C@@H]1C)C3=O
InChIInChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKeyKXNYCALHDXGJSF-JTQLQIEISA-N
MW278.31 g/mol
LogP3.45
Rot. Bonds

About (8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione

(8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione (PubChem CID 14414396) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione.

Molecular Properties

Compound Name(8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione
PubChem CID14414396
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name(8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione
SMILESCc1cccc2c3c(ccc12)C(=O)C1=C(OC[C@@H]1C)C3=O
InChIInChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKeyKXNYCALHDXGJSF-JTQLQIEISA-N
XLogP3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione?
The IUPAC name of (8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione (CID 14414396) is (8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione.
What is the SMILES notation for (8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione?
The canonical SMILES for (8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione is Cc1cccc2c3c(ccc12)C(=O)C1=C(OC[C@@H]1C)C3=O.
What is the InChIKey of (8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione?
The InChIKey is KXNYCALHDXGJSF-JTQLQIEISA-N. The full InChI is InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-7,10H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione?
(8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione has a molecular weight of 278.31 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione is sourced from PubChem (CID 14414396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).