(1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol

C23H25O2P — CID 13152603

IUPAC(1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol
SMILESCC(C)[C@H]([C@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25O2P/c1-18(2)23(22(24)19-12-6-3-7-13-19)26(25,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22-24H,1-2H3/t22-,23-/m1/s1
InChIKeyJSZQLJDPUXLMIR-DHIUTWEWSA-N
MW364.43 g/mol
LogP4.76
Rot. Bonds6

About (1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol

(1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol (PubChem CID 13152603) has the molecular formula C23H25O2P and a molecular weight of 364.43 g/mol. Its IUPAC name is (1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol
PubChem CID13152603
Molecular FormulaC23H25O2P
Molecular Weight364.43 g/mol
Exact Mass364.16
IUPAC Name(1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol
SMILESCC(C)[C@H]([C@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25O2P/c1-18(2)23(22(24)19-12-6-3-7-13-19)26(25,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22-24H,1-2H3/t22-,23-/m1/s1
InChIKeyJSZQLJDPUXLMIR-DHIUTWEWSA-N
XLogP4.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.76
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 (1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol?
The IUPAC name of (1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol (CID 13152603) is (1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol.
What is the SMILES notation for (1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol?
The canonical SMILES for (1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol is CC(C)[C@H]([C@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol?
The InChIKey is JSZQLJDPUXLMIR-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H25O2P/c1-18(2)23(22(24)19-12-6-3-7-13-19)26(25,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22-24H,1-2H3/t22-,23-/m1/s1.
What are the key properties of (1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol?
(1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol has a molecular weight of 364.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-diphenylphosphoryl-3-methyl-1-phenylbutan-1-ol is sourced from PubChem (CID 13152603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).