(1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol

C21H21O2P — CID 10936608

IUPAC(1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2P/c1-17(21(22)18-11-5-2-6-12-18)24(23,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21-22H,1H3/t17-,21-/m1/s1
InChIKeyNJFHFGRYXZKMPB-DYESRHJHSA-N
MW336.37 g/mol
LogP4.12
Rot. Bonds5

About (1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol

(1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol (PubChem CID 10936608) has the molecular formula C21H21O2P and a molecular weight of 336.37 g/mol. Its IUPAC name is (1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol
PubChem CID10936608
Molecular FormulaC21H21O2P
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name(1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2P/c1-17(21(22)18-11-5-2-6-12-18)24(23,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21-22H,1H3/t17-,21-/m1/s1
InChIKeyNJFHFGRYXZKMPB-DYESRHJHSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol (CID 10936608) is (1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol is C[C@H]([C@@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol?
The InChIKey is NJFHFGRYXZKMPB-DYESRHJHSA-N. The full InChI is InChI=1S/C21H21O2P/c1-17(21(22)18-11-5-2-6-12-18)24(23,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21-22H,1H3/t17-,21-/m1/s1.
What are the key properties of (1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol?
(1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol has a molecular weight of 336.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-diphenylphosphoryl-1-phenylpropan-1-ol is sourced from PubChem (CID 10936608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).