lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one

C16H18LiOP — CID 174476920

IUPAClithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one
SMILESCc1cccc(-c2ccccc2)c1C(=O)C(C)P.[H-].[Li+]
InChIInChI=1S/C16H17OP.Li.H/c1-11-7-6-10-14(13-8-4-3-5-9-13)15(11)16(17)12(2)18;;/h3-10,12H,18H2,1-2H3;;/q;+1;-1
InChIKeyQWKSQFLFRXOSLJ-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.22
Rot. Bonds3

About lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one

lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one (PubChem CID 174476920) has the molecular formula C16H18LiOP and a molecular weight of 264.23 g/mol. Its IUPAC name is lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one.

Molecular Properties

Compound Namelithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one
PubChem CID174476920
Molecular FormulaC16H18LiOP
Molecular Weight264.23 g/mol
Exact Mass264.13
IUPAC Namelithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one
SMILESCc1cccc(-c2ccccc2)c1C(=O)C(C)P.[H-].[Li+]
InChIInChI=1S/C16H17OP.Li.H/c1-11-7-6-10-14(13-8-4-3-5-9-13)15(11)16(17)12(2)18;;/h3-10,12H,18H2,1-2H3;;/q;+1;-1
InChIKeyQWKSQFLFRXOSLJ-UHFFFAOYSA-N
XLogP1.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide
CID 141023057
lithium;ethylphosphanyl-(2-methyl-6-phenylphenyl)methanone;hydride
CID 174386730
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
CID 70014310
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
(2S)-2-[(2-methyl-6-phenylbenzoyl)amino]-4-sulfobutanoic acid
CID 89123732
2-methyl-6-phenylbenzenesulfonic acid
CID 23031918
2-methyl-6-phenylphenol
CID 12592481
CID 159103638
CID 159103638
CID 160597109
CID 160597109
2-methyl-1-[4-(2-methylphenyl)phenyl]propan-1-one
CID 82044354

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one?
The IUPAC name of lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one (CID 174476920) is lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one.
What is the SMILES notation for lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one?
The canonical SMILES for lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one is Cc1cccc(-c2ccccc2)c1C(=O)C(C)P.[H-].[Li+].
What is the InChIKey of lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one?
The InChIKey is QWKSQFLFRXOSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17OP.Li.H/c1-11-7-6-10-14(13-8-4-3-5-9-13)15(11)16(17)12(2)18;;/h3-10,12H,18H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one?
lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one has a molecular weight of 264.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one is sourced from PubChem (CID 174476920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).