12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one

C12H12O2 — CID 130126824

IUPAC12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
SMILESO=C1CC2c3ccccc3C(C1)C2O
InChIInChI=1S/C12H12O2/c13-7-5-10-8-3-1-2-4-9(8)11(6-7)12(10)14/h1-4,10-12,14H,5-6H2
InChIKeyWTUJGDNXIGMCSU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.59
Rot. Bonds

About 12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one

12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one (PubChem CID 130126824) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one.

Molecular Properties

Compound Name12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
PubChem CID130126824
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
SMILESO=C1CC2c3ccccc3C(C1)C2O
InChIInChI=1S/C12H12O2/c13-7-5-10-8-3-1-2-4-9(8)11(6-7)12(10)14/h1-4,10-12,14H,5-6H2
InChIKeyWTUJGDNXIGMCSU-UHFFFAOYSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 136935
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CID 101957461
2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 21218235
1-[(1S,2S,3R)-3-(4-fluorophenyl)-7-hydroxy-2-bicyclo[3.2.1]octanyl]propan-1-one
CID 68926413
1-[3-(4-Fluorophenyl)-7-hydroxy-2-bicyclo[3.2.1]octanyl]propan-1-one
CID 68926415
1-[(1S,2S,3S)-3-(4-fluorophenyl)-7-hydroxy-2-bicyclo[3.2.1]octanyl]propan-1-one
CID 68928816
1-[(1R,2S,3R)-3-(4-fluorophenyl)-7-hydroxy-2-bicyclo[3.2.1]octanyl]propan-1-one
CID 68930219
1-[(1R,2S,3S)-3-(4-fluorophenyl)-7-hydroxy-2-bicyclo[3.2.1]octanyl]propan-1-one
CID 68932309
1-[(2S,3R)-3-(4-fluorophenyl)-7-hydroxy-2-bicyclo[3.2.1]octanyl]propan-1-one
CID 69546405
1-(9H-fluoren-9-yl)-2-hydroxyethanone
CID 12036002
(1R,3aR,4S,7aR)-4-benzyl-1-hydroxy-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-5-one
CID 71696963
(1R,8S)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-ol
CID 92434716

Frequently Asked Questions

What is the IUPAC name of 12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
The IUPAC name of 12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one (CID 130126824) is 12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one.
What is the SMILES notation for 12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
The canonical SMILES for 12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one is O=C1CC2c3ccccc3C(C1)C2O.
What is the InChIKey of 12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
The InChIKey is WTUJGDNXIGMCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-7-5-10-8-3-1-2-4-9(8)11(6-7)12(10)14/h1-4,10-12,14H,5-6H2.
What are the key properties of 12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one has a molecular weight of 188.23 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one is sourced from PubChem (CID 130126824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).