lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone

C22H30LiOP — CID 173244480

IUPAClithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(C)C)c(C(=O)c2ccccc2P)c(C(C)C)c1.[H-].[Li+]
InChIInChI=1S/C22H29OP.Li.H/c1-13(2)16-11-18(14(3)4)21(19(12-16)15(5)6)22(23)17-9-7-8-10-20(17)24;;/h7-15H,24H2,1-6H3;;/q;+1;-1
InChIKeySLFVEJLGDKQXCH-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.90
Rot. Bonds5

About lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone

lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone (PubChem CID 173244480) has the molecular formula C22H30LiOP and a molecular weight of 348.40 g/mol. Its IUPAC name is lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone.

Molecular Properties

Compound Namelithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone
PubChem CID173244480
Molecular FormulaC22H30LiOP
Molecular Weight348.40 g/mol
Exact Mass348.22
IUPAC Namelithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(C)C)c(C(=O)c2ccccc2P)c(C(C)C)c1.[H-].[Li+]
InChIInChI=1S/C22H29OP.Li.H/c1-13(2)16-11-18(14(3)4)21(19(12-16)15(5)6)22(23)17-9-7-8-10-20(17)24;;/h7-15H,24H2,1-6H3;;/q;+1;-1
InChIKeySLFVEJLGDKQXCH-UHFFFAOYSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.90
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;hydride;(2-phosphanylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 173243819
oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium
CID 173244659
4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride
CID 15835314
lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone
CID 174463953
1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
CID 43160225
(2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone
CID 18514772
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442
S-(3-hydroxy-3-phenylprop-1-en-2-yl) 2,4,6-tri(propan-2-yl)benzenecarbothioate
CID 12820140
(2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate
CID 25271023
1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
CID 13297027

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone?
The IUPAC name of lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone (CID 173244480) is lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone.
What is the SMILES notation for lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone?
The canonical SMILES for lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone is CC(C)c1cc(C(C)C)c(C(=O)c2ccccc2P)c(C(C)C)c1.[H-].[Li+].
What is the InChIKey of lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone?
The InChIKey is SLFVEJLGDKQXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29OP.Li.H/c1-13(2)16-11-18(14(3)4)21(19(12-16)15(5)6)22(23)17-9-7-8-10-20(17)24;;/h7-15H,24H2,1-6H3;;/q;+1;-1.
What are the key properties of lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone?
lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone has a molecular weight of 348.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone is sourced from PubChem (CID 173244480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).