5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione

C15H10O4 — CID 167616172

IUPAC5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione
SMILESO=C1CC(=O)c2cc(O)ccc2-c2ccc(O)cc21
InChIInChI=1S/C15H10O4/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(19)7-14(18)12(10)5-8/h1-6,16-17H,7H2
InChIKeyLTQLJNWPVLPWPD-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.53
Rot. Bonds

About 5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione

5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione (PubChem CID 167616172) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione.

Molecular Properties

Compound Name5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione
PubChem CID167616172
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione
SMILESO=C1CC(=O)c2cc(O)ccc2-c2ccc(O)cc21
InChIInChI=1S/C15H10O4/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(19)7-14(18)12(10)5-8/h1-6,16-17H,7H2
InChIKeyLTQLJNWPVLPWPD-UHFFFAOYSA-N
XLogP2.53
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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6-hydroxy-2,3-dimethylnaphthalene-1,4-dione
CID 86718674
2,5-dihydroxyindene-1,3-dione
CID 139638002
acetic acid;biphenylen-2-ol
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3-bromo-6-hydroxyphenanthrene-9,10-dione
CID 67151152
ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 54451343
bis(5-hydroxy-2-benzofuran-1,3-dione);methanediol;bis(yttrium)
CID 58823072
2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one
CID 90807164
9,10-dihydrophenanthrene-2,6-diol
CID 163031531
14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione
CID 145241657

Frequently Asked Questions

What is the IUPAC name of 5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione?
The IUPAC name of 5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione (CID 167616172) is 5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione.
What is the SMILES notation for 5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione?
The canonical SMILES for 5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione is O=C1CC(=O)c2cc(O)ccc2-c2ccc(O)cc21.
What is the InChIKey of 5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione?
The InChIKey is LTQLJNWPVLPWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(19)7-14(18)12(10)5-8/h1-6,16-17H,7H2.
What are the key properties of 5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione?
5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione has a molecular weight of 254.24 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione is sourced from PubChem (CID 167616172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).