(1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol

C23H21O2P — CID 98531958

IUPAC(1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol
SMILESO=[P@@]1(Cc2ccccc2)C(c2ccccc2)=C(O)C[C@H]1c1ccccc1
InChIInChI=1S/C23H21O2P/c24-21-16-22(19-12-6-2-7-13-19)26(25,17-18-10-4-1-5-11-18)23(21)20-14-8-3-9-15-20/h1-15,22,24H,16-17H2/t22-,26+/m0/s1
InChIKeyMJSUUSHGYQJORK-BKMJKUGQSA-N
MW360.39 g/mol
LogP6.62
Rot. Bonds4

About (1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol

(1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol (PubChem CID 98531958) has the molecular formula C23H21O2P and a molecular weight of 360.39 g/mol. Its IUPAC name is (1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol.

Molecular Properties

Compound Name(1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol
PubChem CID98531958
Molecular FormulaC23H21O2P
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name(1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol
SMILESO=[P@@]1(Cc2ccccc2)C(c2ccccc2)=C(O)C[C@H]1c1ccccc1
InChIInChI=1S/C23H21O2P/c24-21-16-22(19-12-6-2-7-13-19)26(25,17-18-10-4-1-5-11-18)23(21)20-14-8-3-9-15-20/h1-15,22,24H,16-17H2/t22-,26+/m0/s1
InChIKeyMJSUUSHGYQJORK-BKMJKUGQSA-N
XLogP6.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 643541
(2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one
CID 12914054
3-hydroxy-5-phenyl-2-(2-phenylethyliminomethyl)cyclohex-2-en-1-one
CID 135433264
(2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine
CID 102200223
(1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine
CID 25001005
(1S,2S)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine
CID 134858625
4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-2,3-dihydropyran-6-one
CID 54688984
(2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 10756696
3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
CID 70523161
1,3-diphenyl(213C)propan-2-one
CID 100945080
cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide
CID 101216317
(2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide
CID 11581020

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol?
The IUPAC name of (1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol (CID 98531958) is (1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol.
What is the SMILES notation for (1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol?
The canonical SMILES for (1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol is O=[P@@]1(Cc2ccccc2)C(c2ccccc2)=C(O)C[C@H]1c1ccccc1.
What is the InChIKey of (1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol?
The InChIKey is MJSUUSHGYQJORK-BKMJKUGQSA-N. The full InChI is InChI=1S/C23H21O2P/c24-21-16-22(19-12-6-2-7-13-19)26(25,17-18-10-4-1-5-11-18)23(21)20-14-8-3-9-15-20/h1-15,22,24H,16-17H2/t22-,26+/m0/s1.
What are the key properties of (1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol?
(1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol has a molecular weight of 360.39 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol is sourced from PubChem (CID 98531958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).