lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide

C20H23ClLiO2P — CID 141016460

IUPAClithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide
SMILESCOc1cccc(Cl)c1C(=O)[P-]c1cc(C(C)C)ccc1C(C)C.[Li+]
InChIInChI=1S/C20H23ClO2P.Li/c1-12(2)14-9-10-15(13(3)4)18(11-14)24-20(22)19-16(21)7-6-8-17(19)23-5;/h6-13H,1-5H3;/q-1;+1
InChIKeyMHZNPJHGBRXDBT-UHFFFAOYSA-N
MW368.77 g/mol
LogP3.01
Rot. Bonds6

About lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide

lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide (PubChem CID 141016460) has the molecular formula C20H23ClLiO2P and a molecular weight of 368.77 g/mol. Its IUPAC name is lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide.

Molecular Properties

Compound Namelithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide
PubChem CID141016460
Molecular FormulaC20H23ClLiO2P
Molecular Weight368.77 g/mol
Exact Mass368.13
IUPAC Namelithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide
SMILESCOc1cccc(Cl)c1C(=O)[P-]c1cc(C(C)C)ccc1C(C)C.[Li+]
InChIInChI=1S/C20H23ClO2P.Li/c1-12(2)14-9-10-15(13(3)4)18(11-14)24-20(22)19-16(21)7-6-8-17(19)23-5;/h6-13H,1-5H3;/q-1;+1
InChIKeyMHZNPJHGBRXDBT-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.77
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide?
The IUPAC name of lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide (CID 141016460) is lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide.
What is the SMILES notation for lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide?
The canonical SMILES for lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide is COc1cccc(Cl)c1C(=O)[P-]c1cc(C(C)C)ccc1C(C)C.[Li+].
What is the InChIKey of lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide?
The InChIKey is MHZNPJHGBRXDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClO2P.Li/c1-12(2)14-9-10-15(13(3)4)18(11-14)24-20(22)19-16(21)7-6-8-17(19)23-5;/h6-13H,1-5H3;/q-1;+1.
What are the key properties of lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide?
lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide has a molecular weight of 368.77 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide is sourced from PubChem (CID 141016460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).