lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone

C20H26LiOP — CID 173243893

IUPAClithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
SMILESCc1cc(C)c(PC(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[H-].[Li+]
InChIInChI=1S/C20H25OP.Li.H/c1-11-8-14(4)19(15(5)9-11)22-20(21)18-13(3)10-12(2)16(6)17(18)7;;/h8-10,22H,1-7H3;;/q;+1;-1
InChIKeyDLWTYCVSXMJXKK-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.11
Rot. Bonds3

About lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone

lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone (PubChem CID 173243893) has the molecular formula C20H26LiOP and a molecular weight of 320.34 g/mol. Its IUPAC name is lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone.

Molecular Properties

Compound Namelithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
PubChem CID173243893
Molecular FormulaC20H26LiOP
Molecular Weight320.34 g/mol
Exact Mass320.19
IUPAC Namelithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
SMILESCc1cc(C)c(PC(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[H-].[Li+]
InChIInChI=1S/C20H25OP.Li.H/c1-11-8-14(4)19(15(5)9-11)22-20(21)18-13(3)10-12(2)16(6)17(18)7;;/h8-10,22H,1-7H3;;/q;+1;-1
InChIKeyDLWTYCVSXMJXKK-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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;(2,4,6-trimethoxyphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173245955
lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514443
lithium;hydride;(2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245851
lithium;(4-tert-butylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone;hydride
CID 173245844
lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515081
lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245078
(2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 18515217
(3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 153324668
lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173245324
(2,4,6-trimethylbenzoyl)phosphinous acid
CID 69266180
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590
lithium;hydride;(2,4,6-trimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 173244414

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone?
The IUPAC name of lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone (CID 173243893) is lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone.
What is the SMILES notation for lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone?
The canonical SMILES for lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone is Cc1cc(C)c(PC(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[H-].[Li+].
What is the InChIKey of lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone?
The InChIKey is DLWTYCVSXMJXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25OP.Li.H/c1-11-8-14(4)19(15(5)9-11)22-20(21)18-13(3)10-12(2)16(6)17(18)7;;/h8-10,22H,1-7H3;;/q;+1;-1.
What are the key properties of lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone?
lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone has a molecular weight of 320.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone is sourced from PubChem (CID 173243893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).