lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride

C24H34LiO2P — CID 173244590

IUPAClithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
SMILESCCCCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[H-].[Li+]
InChIInChI=1S/C24H33O2P.Li.H/c1-7-8-9-10-13-26-21-11-12-22(17(3)15-21)27-24(25)23-18(4)14-16(2)19(5)20(23)6;;/h11-12,14-15,27H,7-10,13H2,1-6H3;;/q;+1;-1
InChIKeyBYBSEQSLFBINLA-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.45
Rot. Bonds9

About lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride

lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride (PubChem CID 173244590) has the molecular formula C24H34LiO2P and a molecular weight of 392.45 g/mol. Its IUPAC name is lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
PubChem CID173244590
Molecular FormulaC24H34LiO2P
Molecular Weight392.45 g/mol
Exact Mass392.25
IUPAC Namelithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
SMILESCCCCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[H-].[Li+]
InChIInChI=1S/C24H33O2P.Li.H/c1-7-8-9-10-13-26-21-11-12-22(17(3)15-21)27-24(25)23-18(4)14-16(2)19(5)20(23)6;;/h11-12,14-15,27H,7-10,13H2,1-6H3;;/q;+1;-1
InChIKeyBYBSEQSLFBINLA-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245078
lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514332
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515180
lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173245324
CID 70014164
CID 70014164
lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173243207
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173244584
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886

Frequently Asked Questions

What is the IUPAC name of lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The IUPAC name of lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride (CID 173244590) is lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride.
What is the SMILES notation for lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The canonical SMILES for lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride is CCCCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[H-].[Li+].
What is the InChIKey of lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The InChIKey is BYBSEQSLFBINLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33O2P.Li.H/c1-7-8-9-10-13-26-21-11-12-22(17(3)15-21)27-24(25)23-18(4)14-16(2)19(5)20(23)6;;/h11-12,14-15,27H,7-10,13H2,1-6H3;;/q;+1;-1.
What are the key properties of lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride has a molecular weight of 392.45 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride is sourced from PubChem (CID 173244590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).