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

C12H12O2 — CID 14383701

IUPAC9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
SMILESO=C1CC2CC(c3ccccc32)C1O
InChIInChI=1S/C12H12O2/c13-11-6-7-5-10(12(11)14)9-4-2-1-3-8(7)9/h1-4,7,10,12,14H,5-6H2
InChIKeyJKYAATFTUFIXEV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.59
Rot. Bonds

About 9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one

9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one (PubChem CID 14383701) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one.

Molecular Properties

Compound Name9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
PubChem CID14383701
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
SMILESO=C1CC2CC(c3ccccc32)C1O
InChIInChI=1S/C12H12O2/c13-11-6-7-5-10(12(11)14)9-4-2-1-3-8(7)9/h1-4,7,10,12,14H,5-6H2
InChIKeyJKYAATFTUFIXEV-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

2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
CID 66288188
Phomosterol A
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1-(2,3-dihydro-1H-inden-2-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 177698915
(2R,3R)-2-hydroxy-3-phenyl-2,3-dihydroinden-1-one
CID 101957461
1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one
CID 10511878
1-(9H-fluoren-9-yl)-2-hydroxyethanone
CID 12036002
2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
CID 83069676
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
CID 116532467
(2R,3R,3aS,7aS)-2-hydroxy-3a,7,7-trimethyl-3-phenyl-3,4,6,7a-tetrahydro-2H-indene-1,5-dione
CID 10803134
2-(2,3-dihydro-1H-inden-2-yl)-2-hydroxy-1-phenylethanone
CID 85856195
12-Hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
CID 130126824
1-(9H-fluoren-2-yl)-2-hydroxyethanone
CID 20270502

Frequently Asked Questions

What is the IUPAC name of 9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
The IUPAC name of 9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one (CID 14383701) is 9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one.
What is the SMILES notation for 9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
The canonical SMILES for 9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one is O=C1CC2CC(c3ccccc32)C1O.
What is the InChIKey of 9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
The InChIKey is JKYAATFTUFIXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-6-7-5-10(12(11)14)9-4-2-1-3-8(7)9/h1-4,7,10,12,14H,5-6H2.
What are the key properties of 9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
9-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 9-hydroxytricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one is sourced from PubChem (CID 14383701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).