lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride

C23H32LiO2P — CID 173244242

IUPAClithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride
SMILESCCC(C)Oc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1.[H-].[Li+]
InChIInChI=1S/C23H31O2P.Li.H/c1-8-17(4)25-19-9-11-20(12-10-19)26-22(24)21-15(2)13-18(14-16(21)3)23(5,6)7;;/h9-14,17,26H,8H2,1-7H3;;/q;+1;-1
InChIKeyGTHQOQYCOVFDNX-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.04
Rot. Bonds6

About lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride

lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride (PubChem CID 173244242) has the molecular formula C23H32LiO2P and a molecular weight of 378.42 g/mol. Its IUPAC name is lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride
PubChem CID173244242
Molecular FormulaC23H32LiO2P
Molecular Weight378.42 g/mol
Exact Mass378.23
IUPAC Namelithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride
SMILESCCC(C)Oc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1.[H-].[Li+]
InChIInChI=1S/C23H31O2P.Li.H/c1-8-17(4)25-19-9-11-20(12-10-19)26-22(24)21-15(2)13-18(14-16(21)3)23(5,6)7;;/h9-14,17,26H,8H2,1-7H3;;/q;+1;-1
InChIKeyGTHQOQYCOVFDNX-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.04
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

lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173244584
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173243904
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173244583
CID 70014116
CID 70014116
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-phenylphenyl)phosphanylmethanone;hydride
CID 173245629
(4-tert-butyl-2,6-dimethylphenyl)-phenylphosphanylmethanone
CID 18514788
lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173244432
CID 70015545
CID 70015545
CID 70016722
CID 70016722
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 18513930
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325

Frequently Asked Questions

What is the IUPAC name of lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride?
The IUPAC name of lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride (CID 173244242) is lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride.
What is the SMILES notation for lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride?
The canonical SMILES for lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride is CCC(C)Oc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1.[H-].[Li+].
What is the InChIKey of lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride?
The InChIKey is GTHQOQYCOVFDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31O2P.Li.H/c1-8-17(4)25-19-9-11-20(12-10-19)26-22(24)21-15(2)13-18(14-16(21)3)23(5,6)7;;/h9-14,17,26H,8H2,1-7H3;;/q;+1;-1.
What are the key properties of lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride?
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride has a molecular weight of 378.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride is sourced from PubChem (CID 173244242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).