tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol

C12H12O2 — CID 130033714

IUPACtricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol
SMILESOc1ccc2c(c1O)C1C=CC2CC1
InChIInChI=1S/C12H12O2/c13-10-6-5-9-7-1-3-8(4-2-7)11(9)12(10)14/h1,3,5-8,13-14H,2,4H2
InChIKeyZYIWMRCJNNUAKB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.63
Rot. Bonds

About tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol

tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol (PubChem CID 130033714) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol.

Molecular Properties

Compound Nametricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol
PubChem CID130033714
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Nametricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol
SMILESOc1ccc2c(c1O)C1C=CC2CC1
InChIInChI=1S/C12H12O2/c13-10-6-5-9-7-1-3-8(4-2-7)11(9)12(10)14/h1,3,5-8,13-14H,2,4H2
InChIKeyZYIWMRCJNNUAKB-UHFFFAOYSA-N
XLogP2.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-ylbenzene-1,3-diol
CID 130032565
5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione
CID 163931596
(1S,7R)-4-[3-(2-hydroxy-3-phenylphenyl)phenyl]-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 90871097
benzene-1,2,3-triol
CID 87074018
6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
CID 13274736
3-(3,4-dihydroxyphenyl)-1-methyl-2,3-dihydro-1H-indene-4,5-diol
CID 67392181
(1S,7R)-4-(2,3,4-trifluorophenyl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 90887319
(1R,4R)-bicyclo[2.2.1]hept-2-en-7-one
CID 50919073
4-[2,4-dimethoxy-3-(2,3,4-trihydroxyphenyl)cyclobutyl]benzene-1,2,3-triol
CID 163517602
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
CID 92980858
(4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one
CID 131484948
3-cyclohexyl-4-ethylbenzene-1,2-diol
CID 154435911

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol?
The IUPAC name of tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol (CID 130033714) is tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol.
What is the SMILES notation for tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol?
The canonical SMILES for tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol is Oc1ccc2c(c1O)C1C=CC2CC1.
What is the InChIKey of tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol?
The InChIKey is ZYIWMRCJNNUAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-10-6-5-9-7-1-3-8(4-2-7)11(9)12(10)14/h1,3,5-8,13-14H,2,4H2.
What are the key properties of tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol?
tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol has a molecular weight of 188.23 g/mol, XLogP of 2.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9-tetraene-3,4-diol is sourced from PubChem (CID 130033714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).