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

C18H14O3 — CID 11778300

IUPAC(8S)-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-/m1/s1
InChIKeyKXNYCALHDXGJSF-SNVBAGLBSA-N
MW278.31 g/mol
LogP3.45
Rot. Bonds

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

(8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione (PubChem CID 11778300) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione.

Molecular Properties

Compound Name(8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione
PubChem CID11778300
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name(8S)-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-/m1/s1
InChIKeyKXNYCALHDXGJSF-SNVBAGLBSA-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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Related Compounds

Dihydrotanshinone I
CID 11425923
2-methoxy-9-phenyl-1H-phenalen-1-one
CID 10085389
1,6-Dimethyl-1,2-Dihydronaphtho(1,2-G)(1)Benzofuran-10,11-Dione
CID 5316743
2-Isopropenyl-2,3-dihydronaphtho[2,3-b]furan-4,9-dione
CID 364109
Nor-alpha-lapachone
CID 14841859
2-Methoxyphenalen-1-one
CID 5027250
8,9-Dihydro-4,8-dimethylphenanthro(3,2-b)furan-7,11-dione
CID 89406
2-Methoxy-3-phenylnaphthoquinone
CID 793869
Naphtho[2,3-b]furan-4,9-dione, 2-acetyl-3a,9a-dihydro-
CID 91971765
Annoquinone A
CID 355646
Salvilenone
CID 389885
Acetylsalvipisone
CID 102066549

Frequently Asked Questions

What is the IUPAC name of (8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione?
The IUPAC name of (8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione (CID 11778300) is (8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione.
What is the SMILES notation for (8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione?
The canonical SMILES for (8S)-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 (8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione?
The InChIKey is KXNYCALHDXGJSF-SNVBAGLBSA-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-/m1/s1.
What are the key properties of (8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione?
(8S)-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 (8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione is sourced from PubChem (CID 11778300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).