lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone

C26H36ClLiO5P+ — CID 18515183

IUPAClithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
SMILESCOc1cccc(Cl)c1C(=O)Pc1c(OCC(C)C)cc(OCC(C)C)cc1OCC(C)C.[Li+]
InChIInChI=1S/C26H36ClO5P.Li/c1-16(2)13-30-19-11-22(31-14-17(3)4)25(23(12-19)32-15-18(5)6)33-26(28)24-20(27)9-8-10-21(24)29-7;/h8-12,16-18,33H,13-15H2,1-7H3;/q;+1
InChIKeyOQFRSWBYVVPPDB-UHFFFAOYSA-N
MW501.94 g/mol
LogP3.60
Rot. Bonds13

About lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone

lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone (PubChem CID 18515183) has the molecular formula C26H36ClLiO5P+ and a molecular weight of 501.94 g/mol. Its IUPAC name is lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Namelithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
PubChem CID18515183
Molecular FormulaC26H36ClLiO5P+
Molecular Weight501.94 g/mol
Exact Mass501.21
IUPAC Namelithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
SMILESCOc1cccc(Cl)c1C(=O)Pc1c(OCC(C)C)cc(OCC(C)C)cc1OCC(C)C.[Li+]
InChIInChI=1S/C26H36ClO5P.Li/c1-16(2)13-30-19-11-22(31-14-17(3)4)25(23(12-19)32-15-18(5)6)33-26(28)24-20(27)9-8-10-21(24)29-7;/h8-12,16-18,33H,13-15H2,1-7H3;/q;+1
InChIKeyOQFRSWBYVVPPDB-UHFFFAOYSA-N
XLogP3.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.94
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173245850
CID 70016726
CID 70016726
[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 18514382
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515178
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515179
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70012807
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574

Frequently Asked Questions

What is the IUPAC name of lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone?
The IUPAC name of lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone (CID 18515183) is lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone.
What is the SMILES notation for lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone?
The canonical SMILES for lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone is COc1cccc(Cl)c1C(=O)Pc1c(OCC(C)C)cc(OCC(C)C)cc1OCC(C)C.[Li+].
What is the InChIKey of lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone?
The InChIKey is OQFRSWBYVVPPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClO5P.Li/c1-16(2)13-30-19-11-22(31-14-17(3)4)25(23(12-19)32-15-18(5)6)33-26(28)24-20(27)9-8-10-21(24)29-7;/h8-12,16-18,33H,13-15H2,1-7H3;/q;+1.
What are the key properties of lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone?
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone has a molecular weight of 501.94 g/mol, XLogP of 3.60, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 18515183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).