lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone

C20H24ClLiO3P+ — CID 18514643

IUPAClithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
SMILESCc1cccc(Cl)c1C(=O)Pc1ccc(OC(C)C)cc1OC(C)C.[Li+]
InChIInChI=1S/C20H24ClO3P.Li/c1-12(2)23-15-9-10-18(17(11-15)24-13(3)4)25-20(22)19-14(5)7-6-8-16(19)21;/h6-13,25H,1-5H3;/q;+1
InChIKeyTXYNOOGNJHDUAH-UHFFFAOYSA-N
MW385.78 g/mol
LogP2.37
Rot. Bonds7

About lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone

lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone (PubChem CID 18514643) has the molecular formula C20H24ClLiO3P+ and a molecular weight of 385.78 g/mol. Its IUPAC name is lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Namelithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
PubChem CID18514643
Molecular FormulaC20H24ClLiO3P+
Molecular Weight385.78 g/mol
Exact Mass385.13
IUPAC Namelithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
SMILESCc1cccc(Cl)c1C(=O)Pc1ccc(OC(C)C)cc1OC(C)C.[Li+]
InChIInChI=1S/C20H24ClO3P.Li/c1-12(2)23-15-9-10-18(17(11-15)24-13(3)4)25-20(22)19-14(5)7-6-8-16(19)21;/h6-13,25H,1-5H3;/q;+1
InChIKeyTXYNOOGNJHDUAH-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173243873
lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514113
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
CID 70013385
CID 70013385
CID 70016722
CID 70016722
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245190
lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
CID 173245149
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
CID 70016005
CID 70016005
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303

Frequently Asked Questions

What is the IUPAC name of lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone?
The IUPAC name of lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone (CID 18514643) is lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone.
What is the SMILES notation for lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone?
The canonical SMILES for lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone is Cc1cccc(Cl)c1C(=O)Pc1ccc(OC(C)C)cc1OC(C)C.[Li+].
What is the InChIKey of lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone?
The InChIKey is TXYNOOGNJHDUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClO3P.Li/c1-12(2)23-15-9-10-18(17(11-15)24-13(3)4)25-20(22)19-14(5)7-6-8-16(19)21;/h6-13,25H,1-5H3;/q;+1.
What are the key properties of lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone?
lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone has a molecular weight of 385.78 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 18514643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).