6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione

C20H16O4 — CID 148909136

IUPAC6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione
SMILESCC12c3ccc(O)cc3C(=O)C1C1(C)c3ccc(O)cc3C(=O)C21
InChIInChI=1S/C20H16O4/c1-19-13-5-3-9(21)7-11(13)15(23)17(19)20(2)14-6-4-10(22)8-12(14)16(24)18(19)20/h3-8,17-18,21-22H,1-2H3
InChIKeyPIGYYDBUDRVFAB-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.95
Rot. Bonds

About 6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione

6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione (PubChem CID 148909136) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione.

Molecular Properties

Compound Name6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione
PubChem CID148909136
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione
SMILESCC12c3ccc(O)cc3C(=O)C1C1(C)c3ccc(O)cc3C(=O)C21
InChIInChI=1S/C20H16O4/c1-19-13-5-3-9(21)7-11(13)15(23)17(19)20(2)14-6-4-10(22)8-12(14)16(24)18(19)20/h3-8,17-18,21-22H,1-2H3
InChIKeyPIGYYDBUDRVFAB-UHFFFAOYSA-N
XLogP2.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione?
The IUPAC name of 6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione (CID 148909136) is 6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione.
What is the SMILES notation for 6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione?
The canonical SMILES for 6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione is CC12c3ccc(O)cc3C(=O)C1C1(C)c3ccc(O)cc3C(=O)C21.
What is the InChIKey of 6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione?
The InChIKey is PIGYYDBUDRVFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-19-13-5-3-9(21)7-11(13)15(23)17(19)20(2)14-6-4-10(22)8-12(14)16(24)18(19)20/h3-8,17-18,21-22H,1-2H3.
What are the key properties of 6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione?
6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione has a molecular weight of 320.34 g/mol, XLogP of 2.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione is sourced from PubChem (CID 148909136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).