(2R,6R)-1,2,6-triphenylphosphinan-4-one

C23H21OP — CID 12914047

IUPAC(2R,6R)-1,2,6-triphenylphosphinan-4-one
SMILESO=C1C[C@H](c2ccccc2)P(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H21OP/c24-20-16-22(18-10-4-1-5-11-18)25(21-14-8-3-9-15-21)23(17-20)19-12-6-2-7-13-19/h1-15,22-23H,16-17H2/t22-,23-/m1/s1
InChIKeyLQWINIIHGWXQCK-DHIUTWEWSA-N
MW344.39 g/mol
LogP5.64
Rot. Bonds3

About (2R,6R)-1,2,6-triphenylphosphinan-4-one

(2R,6R)-1,2,6-triphenylphosphinan-4-one (PubChem CID 12914047) has the molecular formula C23H21OP and a molecular weight of 344.39 g/mol. Its IUPAC name is (2R,6R)-1,2,6-triphenylphosphinan-4-one.

Molecular Properties

Compound Name(2R,6R)-1,2,6-triphenylphosphinan-4-one
PubChem CID12914047
Molecular FormulaC23H21OP
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name(2R,6R)-1,2,6-triphenylphosphinan-4-one
SMILESO=C1C[C@H](c2ccccc2)P(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H21OP/c24-20-16-22(18-10-4-1-5-11-18)25(21-14-8-3-9-15-21)23(17-20)19-12-6-2-7-13-19/h1-15,22-23H,16-17H2/t22-,23-/m1/s1
InChIKeyLQWINIIHGWXQCK-DHIUTWEWSA-N
XLogP5.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,6-triphenylphosphinan-4-one
CID 12914046
CID 11716921
CID 11716921
2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one
CID 21018065
2,6-diphenylphosphinan-4-one
CID 69110592
2,6-diphenyloxan-4-one
CID 500287
2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane
CID 12520754
3-benzoyl-4-phenylcyclopentan-1-one
CID 71733706
1-nitroso-2,6-diphenylpiperidin-4-one
CID 14663661
(2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one
CID 12914054
2-phenyl-3,5-dihydro-2H-pyridin-4-one
CID 91380301
trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one
CID 13216005
2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-1,2,6-triphenylphosphinan-4-one?
The IUPAC name of (2R,6R)-1,2,6-triphenylphosphinan-4-one (CID 12914047) is (2R,6R)-1,2,6-triphenylphosphinan-4-one.
What is the SMILES notation for (2R,6R)-1,2,6-triphenylphosphinan-4-one?
The canonical SMILES for (2R,6R)-1,2,6-triphenylphosphinan-4-one is O=C1C[C@H](c2ccccc2)P(c2ccccc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R,6R)-1,2,6-triphenylphosphinan-4-one?
The InChIKey is LQWINIIHGWXQCK-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H21OP/c24-20-16-22(18-10-4-1-5-11-18)25(21-14-8-3-9-15-21)23(17-20)19-12-6-2-7-13-19/h1-15,22-23H,16-17H2/t22-,23-/m1/s1.
What are the key properties of (2R,6R)-1,2,6-triphenylphosphinan-4-one?
(2R,6R)-1,2,6-triphenylphosphinan-4-one has a molecular weight of 344.39 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-1,2,6-triphenylphosphinan-4-one is sourced from PubChem (CID 12914047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).