3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one

C13H14O2 — CID 90805532

IUPAC3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one
SMILESO=C1C2CCC(C2)C1(O)c1ccccc1
InChIInChI=1S/C13H14O2/c14-12-9-6-7-11(8-9)13(12,15)10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2
InChIKeyODYWLRVDQWQCMP-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.87
Rot. Bonds1

About 3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one

3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one (PubChem CID 90805532) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one
PubChem CID90805532
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one
SMILESO=C1C2CCC(C2)C1(O)c1ccccc1
InChIInChI=1S/C13H14O2/c14-12-9-6-7-11(8-9)13(12,15)10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2
InChIKeyODYWLRVDQWQCMP-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylbicyclo[2.2.1]heptan-2-ol
CID 417191
2-Hydroxy-2-phenylcyclopentanone
CID 10583411
(3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one
CID 10867379
(2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one
CID 102347691
(2S)-2-hydroxy-2-(3-methylphenyl)cyclopentan-1-one
CID 102347697
1-(9-Hydroxy-9H-fluoren-9-yl)ethan-1-one
CID 12334612
1-Hydroxy-1-methyl-3,4-dihydronaphthalen-2(1H)-one
CID 12377685
(3aR,6aS)-5-(4-fluorophenyl)-5-hydroxy-1,3,3a,4,6,6a-hexahydropentalen-2-one
CID 57775778
5-(4-Fluoro-phenyl)-5-hydroxy-hexahydro-pentalen-2-one
CID 68914513
(2R)-1-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-methyl-3-phenylpropan-1-one
CID 11403835
(2S)-2-hydroxy-2-phenylcyclopentan-1-one
CID 101445109
(3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one
CID 102154676

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one (CID 90805532) is 3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one is O=C1C2CCC(C2)C1(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one?
The InChIKey is ODYWLRVDQWQCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-12-9-6-7-11(8-9)13(12,15)10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2.
What are the key properties of 3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one?
3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one has a molecular weight of 202.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 90805532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).