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

C21H28LiO2P — CID 173244822

IUPAClithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
SMILESCCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)cc1.[H-].[Li+]
InChIInChI=1S/C21H27O2P.Li.H/c1-6-7-12-23-18-8-10-19(11-9-18)24-21(22)20-15(3)13-14(2)16(4)17(20)5;;/h8-11,13,24H,6-7,12H2,1-5H3;;/q;+1;-1
InChIKeyCWBDRVUWHOINOZ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.36
Rot. Bonds7

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

lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride (PubChem CID 173244822) has the molecular formula C21H28LiO2P and a molecular weight of 350.37 g/mol. Its IUPAC name is lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
PubChem CID173244822
Molecular FormulaC21H28LiO2P
Molecular Weight350.37 g/mol
Exact Mass350.20
IUPAC Namelithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
SMILESCCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)cc1.[H-].[Li+]
InChIInChI=1S/C21H27O2P.Li.H/c1-6-7-12-23-18-8-10-19(11-9-18)24-21(22)20-15(3)13-14(2)16(4)17(20)5;;/h8-11,13,24H,6-7,12H2,1-5H3;;/q;+1;-1
InChIKeyCWBDRVUWHOINOZ-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.36
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 (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514332
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173244584
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245078
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
CID 18513885
lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173245324

Frequently Asked Questions

What is the IUPAC name of lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The IUPAC name of lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride (CID 173244822) is lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride.
What is the SMILES notation for lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The canonical SMILES for lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride is CCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)cc1.[H-].[Li+].
What is the InChIKey of lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The InChIKey is CWBDRVUWHOINOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O2P.Li.H/c1-6-7-12-23-18-8-10-19(11-9-18)24-21(22)20-15(3)13-14(2)16(4)17(20)5;;/h8-11,13,24H,6-7,12H2,1-5H3;;/q;+1;-1.
What are the key properties of lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride has a molecular weight of 350.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride is sourced from PubChem (CID 173244822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).