lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone

C18H21LiO6P+ — CID 18514898

IUPAClithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
SMILESCOc1cc(OC)c(PC(=O)c2c(OC)cccc2OC)c(OC)c1.[Li+]
InChIInChI=1S/C18H21O6P.Li/c1-20-11-9-14(23-4)17(15(10-11)24-5)25-18(19)16-12(21-2)7-6-8-13(16)22-3;/h6-10,25H,1-5H3;/q;+1
InChIKeyVBGRBWSVIAWTCS-UHFFFAOYSA-N
MW371.28 g/mol
LogP-0.12
Rot. Bonds8

About lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone

lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone (PubChem CID 18514898) has the molecular formula C18H21LiO6P+ and a molecular weight of 371.28 g/mol. Its IUPAC name is lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Namelithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
PubChem CID18514898
Molecular FormulaC18H21LiO6P+
Molecular Weight371.28 g/mol
Exact Mass371.12
IUPAC Namelithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
SMILESCOc1cc(OC)c(PC(=O)c2c(OC)cccc2OC)c(OC)c1.[Li+]
InChIInChI=1S/C18H21O6P.Li/c1-20-11-9-14(23-4)17(15(10-11)24-5)25-18(19)16-12(21-2)7-6-8-13(16)22-3;/h6-10,25H,1-5H3;/q;+1
InChIKeyVBGRBWSVIAWTCS-UHFFFAOYSA-N
XLogP-0.12
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 5-0.12
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

lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone
CID 18514916
CID 70014966
CID 70014966
CID 70015745
CID 70015745
[3,5-dibenzoyloxy-4-(2,6-dimethoxybenzoyl)phosphanylphenyl] benzoate
CID 139895708
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173245850
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride
CID 173245136
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70015637
lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514847
lithium;hydride;(2,4,6-trimethoxyphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173245955
lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 173245466
CID 70016726
CID 70016726

Frequently Asked Questions

What is the IUPAC name of lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone?
The IUPAC name of lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone (CID 18514898) is lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone.
What is the SMILES notation for lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone?
The canonical SMILES for lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone is COc1cc(OC)c(PC(=O)c2c(OC)cccc2OC)c(OC)c1.[Li+].
What is the InChIKey of lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone?
The InChIKey is VBGRBWSVIAWTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O6P.Li/c1-20-11-9-14(23-4)17(15(10-11)24-5)25-18(19)16-12(21-2)7-6-8-13(16)22-3;/h6-10,25H,1-5H3;/q;+1.
What are the key properties of lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone?
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone has a molecular weight of 371.28 g/mol, XLogP of -0.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 18514898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).