4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol

C12H12O2 — CID 519030

IUPAC4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol
SMILESCc1cc(O)c2c(c1O)C1C=CC2C1
InChIInChI=1S/C12H12O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-8,13-14H,5H2,1H3
InChIKeyQODAUEJILFBJKF-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.55
Rot. Bonds

About 4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol

4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol (PubChem CID 519030) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol.

Molecular Properties

Compound Name4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol
PubChem CID519030
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol
SMILESCc1cc(O)c2c(c1O)C1C=CC2C1
InChIInChI=1S/C12H12O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-8,13-14H,5H2,1H3
InChIKeyQODAUEJILFBJKF-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol?
The IUPAC name of 4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol (CID 519030) is 4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol.
What is the SMILES notation for 4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol?
The canonical SMILES for 4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol is Cc1cc(O)c2c(c1O)C1C=CC2C1.
What is the InChIKey of 4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol?
The InChIKey is QODAUEJILFBJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-8,13-14H,5H2,1H3.
What are the key properties of 4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol?
4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol has a molecular weight of 188.23 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol is sourced from PubChem (CID 519030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).