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

C19H24LiO2P — CID 173245275

IUPAClithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
SMILESCCCCOc1ccc(PC(=O)c2c(C)cccc2C)cc1.[H-].[Li+]
InChIInChI=1S/C19H23O2P.Li.H/c1-4-5-13-21-16-9-11-17(12-10-16)22-19(20)18-14(2)7-6-8-15(18)3;;/h6-12,22H,4-5,13H2,1-3H3;;/q;+1;-1
InChIKeyIQNNAQPSCQLPCV-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.74
Rot. Bonds7

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

lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride (PubChem CID 173245275) has the molecular formula C19H24LiO2P and a molecular weight of 322.31 g/mol. Its IUPAC name is lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
PubChem CID173245275
Molecular FormulaC19H24LiO2P
Molecular Weight322.31 g/mol
Exact Mass322.17
IUPAC Namelithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
SMILESCCCCOc1ccc(PC(=O)c2c(C)cccc2C)cc1.[H-].[Li+]
InChIInChI=1S/C19H23O2P.Li.H/c1-4-5-13-21-16-9-11-17(12-10-16)22-19(20)18-14(2)7-6-8-15(18)3;;/h6-12,22H,4-5,13H2,1-3H3;;/q;+1;-1
InChIKeyIQNNAQPSCQLPCV-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.74
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

(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
CID 18513885
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
(2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70015731
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173244584
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514332
[2,6-bis(trifluoromethyl)phenyl]-(4-hexoxyphenyl)phosphanylmethanone
CID 18513556
lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone
CID 18513809

Frequently Asked Questions

What is the IUPAC name of lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride?
The IUPAC name of lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride (CID 173245275) is lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride.
What is the SMILES notation for lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride?
The canonical SMILES for lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride is CCCCOc1ccc(PC(=O)c2c(C)cccc2C)cc1.[H-].[Li+].
What is the InChIKey of lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride?
The InChIKey is IQNNAQPSCQLPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O2P.Li.H/c1-4-5-13-21-16-9-11-17(12-10-16)22-19(20)18-14(2)7-6-8-15(18)3;;/h6-12,22H,4-5,13H2,1-3H3;;/q;+1;-1.
What are the key properties of lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride?
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride has a molecular weight of 322.31 g/mol, XLogP of 1.74, 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-(2,6-dimethylphenyl)methanone;hydride is sourced from PubChem (CID 173245275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).