lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride

C19H24LiO4P — CID 173244207

IUPAClithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
SMILESCCC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[H-].[Li+]
InChIInChI=1S/C19H23O4P.Li.H/c1-5-13(2)23-14-9-11-15(12-10-14)24-19(20)18-16(21-3)7-6-8-17(18)22-4;;/h6-13,24H,5H2,1-4H3;;/q;+1;-1
InChIKeyIPYIPEQAGKSNJV-UHFFFAOYSA-N
MW354.31 g/mol
LogP1.14
Rot. Bonds8

About lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride

lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride (PubChem CID 173244207) has the molecular formula C19H24LiO4P and a molecular weight of 354.31 g/mol. Its IUPAC name is lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
PubChem CID173244207
Molecular FormulaC19H24LiO4P
Molecular Weight354.31 g/mol
Exact Mass354.16
IUPAC Namelithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
SMILESCCC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[H-].[Li+]
InChIInChI=1S/C19H23O4P.Li.H/c1-5-13(2)23-14-9-11-15(12-10-14)24-19(20)18-16(21-3)7-6-8-17(18)22-4;;/h6-13,24H,5H2,1-4H3;;/q;+1;-1
InChIKeyIPYIPEQAGKSNJV-UHFFFAOYSA-N
XLogP1.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 70014116
CID 70014116
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173243904
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
lithium;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride
CID 173244242
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926
lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245757
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050

Frequently Asked Questions

What is the IUPAC name of lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride?
The IUPAC name of lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride (CID 173244207) is lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride.
What is the SMILES notation for lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride?
The canonical SMILES for lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride is CCC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[H-].[Li+].
What is the InChIKey of lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride?
The InChIKey is IPYIPEQAGKSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O4P.Li.H/c1-5-13(2)23-14-9-11-15(12-10-14)24-19(20)18-16(21-3)7-6-8-17(18)22-4;;/h6-13,24H,5H2,1-4H3;;/q;+1;-1.
What are the key properties of lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride?
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride has a molecular weight of 354.31 g/mol, XLogP of 1.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride is sourced from PubChem (CID 173244207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).