6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one

C15H18O2 — CID 123952742

IUPAC6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one
SMILESO=C1CC2CCC1C(CO)C2c1ccccc1
InChIInChI=1S/C15H18O2/c16-9-13-12-7-6-11(8-14(12)17)15(13)10-4-2-1-3-5-10/h1-5,11-13,15-16H,6-9H2
InChIKeyHPYOTSJMMLICJZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.38
Rot. Bonds2

About 6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one

6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one (PubChem CID 123952742) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one
PubChem CID123952742
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one
SMILESO=C1CC2CCC1C(CO)C2c1ccccc1
InChIInChI=1S/C15H18O2/c16-9-13-12-7-6-11(8-14(12)17)15(13)10-4-2-1-3-5-10/h1-5,11-13,15-16H,6-9H2
InChIKeyHPYOTSJMMLICJZ-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one
CID 14488388
[(1S,2S)-2-phenylcyclobutyl]methanol
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CID 102310526
[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine
CID 10633650
(2-phenyl-6-bicyclo[3.2.1]octanyl)methanol
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[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione
CID 14778512
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
(2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol
CID 57351473
[(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol
CID 124746466
(5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one
CID 168925086
(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one?
The IUPAC name of 6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one (CID 123952742) is 6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one?
The canonical SMILES for 6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one is O=C1CC2CCC1C(CO)C2c1ccccc1.
What is the InChIKey of 6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one?
The InChIKey is HPYOTSJMMLICJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-9-13-12-7-6-11(8-14(12)17)15(13)10-4-2-1-3-5-10/h1-5,11-13,15-16H,6-9H2.
What are the key properties of 6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one?
6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 123952742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).