lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride

C23H32LiO2P — CID 173244583

IUPAClithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
SMILESCc1cc(OC(C)C)ccc1PC(=O)c1c(C)cc(C(C)(C)C)cc1C.[H-].[Li+]
InChIInChI=1S/C23H31O2P.Li.H/c1-14(2)25-19-9-10-20(15(3)13-19)26-22(24)21-16(4)11-18(12-17(21)5)23(6,7)8;;/h9-14,26H,1-8H3;;/q;+1;-1
InChIKeyPJFNJSDNRPJBOV-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.96
Rot. Bonds5

About lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride

lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride (PubChem CID 173244583) has the molecular formula C23H32LiO2P and a molecular weight of 378.42 g/mol. Its IUPAC name is lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
PubChem CID173244583
Molecular FormulaC23H32LiO2P
Molecular Weight378.42 g/mol
Exact Mass378.23
IUPAC Namelithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
SMILESCc1cc(OC(C)C)ccc1PC(=O)c1c(C)cc(C(C)(C)C)cc1C.[H-].[Li+]
InChIInChI=1S/C23H31O2P.Li.H/c1-14(2)25-19-9-10-20(15(3)13-19)26-22(24)21-16(4)11-18(12-17(21)5)23(6,7)8;;/h9-14,26H,1-8H3;;/q;+1;-1
InChIKeyPJFNJSDNRPJBOV-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 70015545
CID 70015545
lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514113
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 18513930
lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173243873
CID 70014778
CID 70014778
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride
CID 173244242
CID 70016387
CID 70016387
CID 70014312
CID 70014312
[3-benzoyloxy-4-(4-tert-butyl-2,6-dimethylbenzoyl)phosphanylphenyl] benzoate
CID 139895712
lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173244516
CID 70016390
CID 70016390
[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 70015718

Frequently Asked Questions

What is the IUPAC name of lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride (CID 173244583) is lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride is Cc1cc(OC(C)C)ccc1PC(=O)c1c(C)cc(C(C)(C)C)cc1C.[H-].[Li+].
What is the InChIKey of lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride?
The InChIKey is PJFNJSDNRPJBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31O2P.Li.H/c1-14(2)25-19-9-10-20(15(3)13-19)26-22(24)21-16(4)11-18(12-17(21)5)23(6,7)8;;/h9-14,26H,1-8H3;;/q;+1;-1.
What are the key properties of lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride?
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride has a molecular weight of 378.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173244583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).