2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone

C16H17O2PS — CID 15146257

IUPAC2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone
SMILESCP(C)(=S)C(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O2PS/c1-19(2,20)16(18,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,18H,1-2H3
InChIKeyDOIVSCBCMDBUNH-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.45
Rot. Bonds4

About 2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone

2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone (PubChem CID 15146257) has the molecular formula C16H17O2PS and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone.

Molecular Properties

Compound Name2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone
PubChem CID15146257
Molecular FormulaC16H17O2PS
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone
SMILESCP(C)(=S)C(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O2PS/c1-19(2,20)16(18,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,18H,1-2H3
InChIKeyDOIVSCBCMDBUNH-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-oxo-2,3-diphenylpropanenitrile
CID 87277841
2-chloro-1,2,2-triphenylethanone
CID 11301235
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
CID 97115094
2-hydroxy-3-oxo-2,3-diphenylpropanal
CID 87459670
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
(2S,3S)-2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;hydrate
CID 130366077
2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one
CID 14433421
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
2-(4-methylphenyl)-1,2,2-triphenylethanone
CID 122207100
benzoic acid;ethane;ethene
CID 143334069

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone?
The IUPAC name of 2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone (CID 15146257) is 2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone.
What is the SMILES notation for 2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone?
The canonical SMILES for 2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone is CP(C)(=S)C(O)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone?
The InChIKey is DOIVSCBCMDBUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O2PS/c1-19(2,20)16(18,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,18H,1-2H3.
What are the key properties of 2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone?
2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone has a molecular weight of 304.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone is sourced from PubChem (CID 15146257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).