lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride

C20H26LiOP — CID 173245844

IUPAClithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride
SMILESCc1cc(C)c(PC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1.[H-].[Li+]
InChIInChI=1S/C20H25OP.Li.H/c1-13-11-14(2)18(15(3)12-13)22-19(21)16-7-9-17(10-8-16)20(4,5)6;;/h7-12,22H,1-6H3;;/q;+1;-1
InChIKeyTYXBKKQLQZANFF-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.17
Rot. Bonds3

About lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride

lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride (PubChem CID 173245844) has the molecular formula C20H26LiOP and a molecular weight of 320.34 g/mol. Its IUPAC name is lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride
PubChem CID173245844
Molecular FormulaC20H26LiOP
Molecular Weight320.34 g/mol
Exact Mass320.19
IUPAC Namelithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride
SMILESCc1cc(C)c(PC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1.[H-].[Li+]
InChIInChI=1S/C20H25OP.Li.H/c1-13-11-14(2)18(15(3)12-13)22-19(21)16-7-9-17(10-8-16)20(4,5)6;;/h7-12,22H,1-6H3;;/q;+1;-1
InChIKeyTYXBKKQLQZANFF-UHFFFAOYSA-N
XLogP2.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.17
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;(4-tert-butylphenyl)-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phosphanylmethanone;hydride
CID 173244723
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
lithium;hydride;(2,4,6-trimethoxyphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173245955
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502
4-tert-butylbenzoic acid;copper
CID 67780260
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 48845732
(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone
CID 65306382
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
4-tert-butyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3558072

Frequently Asked Questions

What is the IUPAC name of lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride (CID 173245844) is lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride is Cc1cc(C)c(PC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1.[H-].[Li+].
What is the InChIKey of lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride?
The InChIKey is TYXBKKQLQZANFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25OP.Li.H/c1-13-11-14(2)18(15(3)12-13)22-19(21)16-7-9-17(10-8-16)20(4,5)6;;/h7-12,22H,1-6H3;;/q;+1;-1.
What are the key properties of lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride?
lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride has a molecular weight of 320.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173245844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).