(4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one

C14H16O2 — CID 123493994

IUPAC(4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one
SMILESO=C1C[C@@H]2CCC1C(O)C2c1ccccc1
InChIInChI=1S/C14H16O2/c15-12-8-10-6-7-11(12)14(16)13(10)9-4-2-1-3-5-9/h1-5,10-11,13-14,16H,6-8H2/t10-,11?,13?,14?/m0/s1
InChIKeyVBYAEPOBIZACRL-LHDGGZGMSA-N
MW216.28 g/mol
LogP2.13
Rot. Bonds1

About (4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one

(4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one (PubChem CID 123493994) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name(4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one
PubChem CID123493994
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one
SMILESO=C1C[C@@H]2CCC1C(O)C2c1ccccc1
InChIInChI=1S/C14H16O2/c15-12-8-10-6-7-11(12)14(16)13(10)9-4-2-1-3-5-9/h1-5,10-11,13-14,16H,6-8H2/t10-,11?,13?,14?/m0/s1
InChIKeyVBYAEPOBIZACRL-LHDGGZGMSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one?
The IUPAC name of (4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one (CID 123493994) is (4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one.
What is the SMILES notation for (4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one?
The canonical SMILES for (4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one is O=C1C[C@@H]2CCC1C(O)C2c1ccccc1.
What is the InChIKey of (4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one?
The InChIKey is VBYAEPOBIZACRL-LHDGGZGMSA-N. The full InChI is InChI=1S/C14H16O2/c15-12-8-10-6-7-11(12)14(16)13(10)9-4-2-1-3-5-9/h1-5,10-11,13-14,16H,6-8H2/t10-,11?,13?,14?/m0/s1.
What are the key properties of (4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one?
(4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-hydroxy-5-phenylbicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 123493994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).