tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol

C12H12O2 — CID 130147962

IUPACtricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol
SMILESOC1c2ccccc2C2C=CC1C2O
InChIInChI=1S/C12H12O2/c13-11-8-4-2-1-3-7(8)9-5-6-10(11)12(9)14/h1-6,9-14H
InChIKeyAQHZLMIZTJPRNW-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.36
Rot. Bonds

About tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol

tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol (PubChem CID 130147962) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol.

Molecular Properties

Compound Nametricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol
PubChem CID130147962
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Nametricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol
SMILESOC1c2ccccc2C2C=CC1C2O
InChIInChI=1S/C12H12O2/c13-11-8-4-2-1-3-7(8)9-5-6-10(11)12(9)14/h1-6,9-14H
InChIKeyAQHZLMIZTJPRNW-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 12740385
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol
CID 10511719
trimethyl-[(1S,8R)-11-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl]stannane
CID 71544932
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
(1R,2S,3R,10R,11R,12S)-tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-diol
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CID 125481734
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CID 15429795
(1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene
CID 124910661
(1S,10S)-13-hydroxy-9-methyl-9-azatricyclo[8.2.1.02,7]trideca-2,4,6,11-tetraen-8-one
CID 102197195
11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one
CID 121002695

Frequently Asked Questions

What is the IUPAC name of tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol?
The IUPAC name of tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol (CID 130147962) is tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol.
What is the SMILES notation for tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol?
The canonical SMILES for tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol is OC1c2ccccc2C2C=CC1C2O.
What is the InChIKey of tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol?
The InChIKey is AQHZLMIZTJPRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-8-4-2-1-3-7(8)9-5-6-10(11)12(9)14/h1-6,9-14H.
What are the key properties of tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol?
tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol has a molecular weight of 188.23 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol is sourced from PubChem (CID 130147962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).