1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one

C11H12O2 — CID 86191524

IUPAC1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one
SMILESO=C1C=CCC2C=CC=CC1(O)C2
InChIInChI=1S/C11H12O2/c12-10-6-3-5-9-4-1-2-7-11(10,13)8-9/h1-4,6-7,9,13H,5,8H2
InChIKeyOXZJQXLBZNLJAL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.38
Rot. Bonds

About 1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one

1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one (PubChem CID 86191524) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one.

Molecular Properties

Compound Name1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one
PubChem CID86191524
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one
SMILESO=C1C=CCC2C=CC=CC1(O)C2
InChIInChI=1S/C11H12O2/c12-10-6-3-5-9-4-1-2-7-11(10,13)8-9/h1-4,6-7,9,13H,5,8H2
InChIKeyOXZJQXLBZNLJAL-UHFFFAOYSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-Hydroxy-6-(3-methylbutyl)cyclohexa-2,4-dien-1-one
CID 140987930
6-Hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one
CID 140987931
1-Hydroxybicyclo[3.2.1]octa-3,6-dien-2-one
CID 141091907
3-But-3-enyl-2-ethenyl-4-hydroxy-4-methylcyclobut-2-en-1-one
CID 10487558
(1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one
CID 15378024
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Frequently Asked Questions

What is the IUPAC name of 1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one?
The IUPAC name of 1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one (CID 86191524) is 1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one.
What is the SMILES notation for 1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one?
The canonical SMILES for 1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one is O=C1C=CCC2C=CC=CC1(O)C2.
What is the InChIKey of 1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one?
The InChIKey is OXZJQXLBZNLJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-10-6-3-5-9-4-1-2-7-11(10,13)8-9/h1-4,6-7,9,13H,5,8H2.
What are the key properties of 1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one?
1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one is sourced from PubChem (CID 86191524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).