lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone

C20H24ClLiO5P+ — CID 18514587

IUPAClithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
SMILESCCOc1cc(OCC)c(PC(=O)c2c(Cl)cccc2OC)c(OCC)c1.[Li+]
InChIInChI=1S/C20H24ClO5P.Li/c1-5-24-13-11-16(25-6-2)19(17(12-13)26-7-3)27-20(22)18-14(21)9-8-10-15(18)23-4;/h8-12,27H,5-7H2,1-4H3;/q;+1
InChIKeyPTQVRQHXWIRCKO-UHFFFAOYSA-N
MW417.78 g/mol
LogP1.69
Rot. Bonds10

About lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone

lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone (PubChem CID 18514587) has the molecular formula C20H24ClLiO5P+ and a molecular weight of 417.78 g/mol. Its IUPAC name is lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Namelithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
PubChem CID18514587
Molecular FormulaC20H24ClLiO5P+
Molecular Weight417.78 g/mol
Exact Mass417.12
IUPAC Namelithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
SMILESCCOc1cc(OCC)c(PC(=O)c2c(Cl)cccc2OC)c(OCC)c1.[Li+]
InChIInChI=1S/C20H24ClO5P.Li/c1-5-24-13-11-16(25-6-2)19(17(12-13)26-7-3)27-20(22)18-14(21)9-8-10-15(18)23-4;/h8-12,27H,5-7H2,1-4H3;/q;+1
InChIKeyPTQVRQHXWIRCKO-UHFFFAOYSA-N
XLogP1.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.78
LogP ≤ 51.69
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-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70012807
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
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
(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
CID 70015738
CID 70015738
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898

Frequently Asked Questions

What is the IUPAC name of lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The IUPAC name of lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone (CID 18514587) is lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone.
What is the SMILES notation for lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The canonical SMILES for lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone is CCOc1cc(OCC)c(PC(=O)c2c(Cl)cccc2OC)c(OCC)c1.[Li+].
What is the InChIKey of lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The InChIKey is PTQVRQHXWIRCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClO5P.Li/c1-5-24-13-11-16(25-6-2)19(17(12-13)26-7-3)27-20(22)18-14(21)9-8-10-15(18)23-4;/h8-12,27H,5-7H2,1-4H3;/q;+1.
What are the key properties of lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone has a molecular weight of 417.78 g/mol, XLogP of 1.69, 10 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-triethoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 18514587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).