1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one

C8H8O2 — CID 141091907

IUPAC1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one
SMILESO=C1C=CC2C=CC1(O)C2
InChIInChI=1S/C8H8O2/c9-7-2-1-6-3-4-8(7,10)5-6/h1-4,6,10H,5H2
InChIKeyZERMAZYXKDALAT-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.43
Rot. Bonds

About 1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one

1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one (PubChem CID 141091907) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one.

Molecular Properties

Compound Name1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one
PubChem CID141091907
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one
SMILESO=C1C=CC2C=CC1(O)C2
InChIInChI=1S/C8H8O2/c9-7-2-1-6-3-4-8(7,10)5-6/h1-4,6,10H,5H2
InChIKeyZERMAZYXKDALAT-UHFFFAOYSA-N
XLogP0.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxy-2,5,6-trimethylcyclohexa-2,4-dien-1-one
CID 12264347
6-Hydroxy-6-methylcyclohex-2-en-1-one
CID 123420568
(E)-1-(1-hydroxycyclohex-2-en-1-yl)hept-2-en-1-one
CID 139248698
Bicyclo[3.2.2]nona-2,6-dien-5-ol-4-one
CID 565092
6-Hydroxy-6-propylcyclohexa-2,4-dien-1-one
CID 57219040
2-Hydroxy-2-prop-2-enylcyclopent-3-en-1-one
CID 68947962
6-Cyclopropyl-3,6-dihydroxycyclohexa-2,4-dien-1-one
CID 70396717
(4R)-4-hydroxy-4-oct-2-enylcyclopent-2-en-1-one
CID 139926562
6-Butyl-6-hydroxycyclohexa-2,4-dien-1-one
CID 140987929
6-Hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one
CID 140987931
5-Ethyl-6-hydroxy-6-methylcyclohex-2-en-1-one
CID 141843859
4-hydroxy-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one
CID 11074618

Frequently Asked Questions

What is the IUPAC name of 1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one?
The IUPAC name of 1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one (CID 141091907) is 1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one.
What is the SMILES notation for 1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one?
The canonical SMILES for 1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one is O=C1C=CC2C=CC1(O)C2.
What is the InChIKey of 1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one?
The InChIKey is ZERMAZYXKDALAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-7-2-1-6-3-4-8(7,10)5-6/h1-4,6,10H,5H2.
What are the key properties of 1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one?
1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybicyclo[3.2.1]octa-3,6-dien-2-one is sourced from PubChem (CID 141091907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).