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

C35H30ClLiO5P+ — CID 18515178

IUPAClithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
SMILESCOc1cccc(Cl)c1C(=O)Pc1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1.[Li+]
InChIInChI=1S/C35H30ClO5P.Li/c1-38-30-19-11-18-29(36)33(30)35(37)42-34-31(40-23-26-14-7-3-8-15-26)20-28(39-22-25-12-5-2-6-13-25)21-32(34)41-24-27-16-9-4-10-17-27;/h2-21,42H,22-24H2,1H3;/q;+1
InChIKeyBERWNWTXCRUCGT-UHFFFAOYSA-N
MW603.99 g/mol
LogP5.23
Rot. Bonds13

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

lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone (PubChem CID 18515178) has the molecular formula C35H30ClLiO5P+ and a molecular weight of 603.99 g/mol. Its IUPAC name is lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Namelithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
PubChem CID18515178
Molecular FormulaC35H30ClLiO5P+
Molecular Weight603.99 g/mol
Exact Mass603.17
IUPAC Namelithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
SMILESCOc1cccc(Cl)c1C(=O)Pc1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1.[Li+]
InChIInChI=1S/C35H30ClO5P.Li/c1-38-30-19-11-18-29(36)33(30)35(37)42-34-31(40-23-26-14-7-3-8-15-26)20-28(39-22-25-12-5-2-6-13-25)21-32(34)41-24-27-16-9-4-10-17-27;/h2-21,42H,22-24H2,1H3;/q;+1
InChIKeyBERWNWTXCRUCGT-UHFFFAOYSA-N
XLogP5.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.99
LogP ≤ 55.23
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

(2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515179
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride
CID 173245136
CID 70012742
CID 70012742
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
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(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
(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 (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
(4-phenylmethoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513508
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959

Frequently Asked Questions

What is the IUPAC name of lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone?
The IUPAC name of lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone (CID 18515178) is lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone.
What is the SMILES notation for lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone?
The canonical SMILES for lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone is COc1cccc(Cl)c1C(=O)Pc1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1.[Li+].
What is the InChIKey of lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone?
The InChIKey is BERWNWTXCRUCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30ClO5P.Li/c1-38-30-19-11-18-29(36)33(30)35(37)42-34-31(40-23-26-14-7-3-8-15-26)20-28(39-22-25-12-5-2-6-13-25)21-32(34)41-24-27-16-9-4-10-17-27;/h2-21,42H,22-24H2,1H3;/q;+1.
What are the key properties of lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone?
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone has a molecular weight of 603.99 g/mol, XLogP of 5.23, 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(phenylmethoxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 18515178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).