lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride

C22H30LiO6P — CID 173244539

IUPAClithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
SMILESCCCOc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)c(OCCC)c1.[H-].[Li+]
InChIInChI=1S/C22H29O6P.Li.H/c1-6-10-27-15-8-9-20(17(12-15)28-11-7-2)29-22(23)21-18(25-4)13-16(24-3)14-19(21)26-5;;/h8-9,12-14,29H,6-7,10-11H2,1-5H3;;/q;+1;-1
InChIKeyFACOYNRXCLLZEM-UHFFFAOYSA-N
MW428.39 g/mol
LogP1.55
Rot. Bonds12

About lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride

lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride (PubChem CID 173244539) has the molecular formula C22H30LiO6P and a molecular weight of 428.39 g/mol. Its IUPAC name is lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
PubChem CID173244539
Molecular FormulaC22H30LiO6P
Molecular Weight428.39 g/mol
Exact Mass428.19
IUPAC Namelithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
SMILESCCCOc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)c(OCCC)c1.[H-].[Li+]
InChIInChI=1S/C22H29O6P.Li.H/c1-6-10-27-15-8-9-20(17(12-15)28-11-7-2)29-22(23)21-18(25-4)13-16(24-3)14-19(21)26-5;;/h8-9,12-14,29H,6-7,10-11H2,1-5H3;;/q;+1;-1
InChIKeyFACOYNRXCLLZEM-UHFFFAOYSA-N
XLogP1.55
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 173244960
(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514095
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513827
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886

Frequently Asked Questions

What is the IUPAC name of lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride?
The IUPAC name of lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride (CID 173244539) is lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride.
What is the SMILES notation for lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride?
The canonical SMILES for lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride is CCCOc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)c(OCCC)c1.[H-].[Li+].
What is the InChIKey of lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride?
The InChIKey is FACOYNRXCLLZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29O6P.Li.H/c1-6-10-27-15-8-9-20(17(12-15)28-11-7-2)29-22(23)21-18(25-4)13-16(24-3)14-19(21)26-5;;/h8-9,12-14,29H,6-7,10-11H2,1-5H3;;/q;+1;-1.
What are the key properties of lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride?
lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride has a molecular weight of 428.39 g/mol, XLogP of 1.55, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride is sourced from PubChem (CID 173244539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).