lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone

C19H23LiO4P+ — CID 18513574

IUPAClithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
SMILESCOc1cccc(OC)c1C(=O)Pc1ccc(OCC(C)C)cc1.[Li+]
InChIInChI=1S/C19H23O4P.Li/c1-13(2)12-23-14-8-10-15(11-9-14)24-19(20)18-16(21-3)6-5-7-17(18)22-4;/h5-11,13,24H,12H2,1-4H3;/q;+1
InChIKeyJDRIYVFZLJYHRG-UHFFFAOYSA-N
MW353.30 g/mol
LogP0.89
Rot. Bonds8

About lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone

lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone (PubChem CID 18513574) has the molecular formula C19H23LiO4P+ and a molecular weight of 353.30 g/mol. Its IUPAC name is lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Namelithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
PubChem CID18513574
Molecular FormulaC19H23LiO4P+
Molecular Weight353.30 g/mol
Exact Mass353.15
IUPAC Namelithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
SMILESCOc1cccc(OC)c1C(=O)Pc1ccc(OCC(C)C)cc1.[Li+]
InChIInChI=1S/C19H23O4P.Li/c1-13(2)12-23-14-8-10-15(11-9-14)24-19(20)18-16(21-3)6-5-7-17(18)22-4;/h5-11,13,24H,12H2,1-4H3;/q;+1
InChIKeyJDRIYVFZLJYHRG-UHFFFAOYSA-N
XLogP0.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 50.89
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

lithium;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173245850
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244777
CID 70016726
CID 70016726
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
CID 70014116
CID 70014116
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 18514382
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926
lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
CID 173243447

Frequently Asked Questions

What is the IUPAC name of lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone?
The IUPAC name of lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone (CID 18513574) is lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone.
What is the SMILES notation for lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone?
The canonical SMILES for lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone is COc1cccc(OC)c1C(=O)Pc1ccc(OCC(C)C)cc1.[Li+].
What is the InChIKey of lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone?
The InChIKey is JDRIYVFZLJYHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O4P.Li/c1-13(2)12-23-14-8-10-15(11-9-14)24-19(20)18-16(21-3)6-5-7-17(18)22-4;/h5-11,13,24H,12H2,1-4H3;/q;+1.
What are the key properties of lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone?
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone has a molecular weight of 353.30 g/mol, XLogP of 0.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 18513574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).