2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol

C21H21OPS — CID 12552741

IUPAC2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol
SMILESC[P@@](=S)(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21OPS/c1-23(24,20-15-9-4-10-16-20)17-21(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,22H,17H2,1H3/t23-/m1/s1
InChIKeyAEEJNAUPBCHPMZ-HSZRJFAPSA-N
MW352.44 g/mol
LogP4.36
Rot. Bonds5

About 2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol

2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol (PubChem CID 12552741) has the molecular formula C21H21OPS and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol.

Molecular Properties

Compound Name2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol
PubChem CID12552741
Molecular FormulaC21H21OPS
Molecular Weight352.44 g/mol
Exact Mass352.11
IUPAC Name2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol
SMILESC[P@@](=S)(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21OPS/c1-23(24,20-15-9-4-10-16-20)17-21(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,22H,17H2,1H3/t23-/m1/s1
InChIKeyAEEJNAUPBCHPMZ-HSZRJFAPSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.36
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

bis(1-phenylpropane-1,1-diol);phosphoric acid
CID 175284612
2-iodo-1,1-diphenylethanol
CID 11738821
1,1-diphenyl-2-(2,3,4,5-tetramethylcyclopentyl)ethanol
CID 59952409
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
2-methyl-3-phenylpent-1-en-3-ol
CID 79189457
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol?
The IUPAC name of 2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol (CID 12552741) is 2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol.
What is the SMILES notation for 2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol?
The canonical SMILES for 2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol is C[P@@](=S)(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol?
The InChIKey is AEEJNAUPBCHPMZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C21H21OPS/c1-23(24,20-15-9-4-10-16-20)17-21(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,22H,17H2,1H3/t23-/m1/s1.
What are the key properties of 2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol?
2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol has a molecular weight of 352.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenyl)phosphinothioyl]-1,1-diphenylethanol is sourced from PubChem (CID 12552741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).