lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide

C17H16Cl2LiO2P — CID 141015990

IUPAClithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide
SMILESCC(C)COc1ccc([P-]C(=O)c2c(Cl)cccc2Cl)cc1.[Li+]
InChIInChI=1S/C17H16Cl2O2P.Li/c1-11(2)10-21-12-6-8-13(9-7-12)22-17(20)16-14(18)4-3-5-15(16)19;/h3-9,11H,10H2,1-2H3;/q-1;+1
InChIKeyFHJSKUZRGUBUDL-UHFFFAOYSA-N
MW361.13 g/mol
LogP2.44
Rot. Bonds6

About lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide

lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide (PubChem CID 141015990) has the molecular formula C17H16Cl2LiO2P and a molecular weight of 361.13 g/mol. Its IUPAC name is lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide.

Molecular Properties

Compound Namelithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide
PubChem CID141015990
Molecular FormulaC17H16Cl2LiO2P
Molecular Weight361.13 g/mol
Exact Mass360.04
IUPAC Namelithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide
SMILESCC(C)COc1ccc([P-]C(=O)c2c(Cl)cccc2Cl)cc1.[Li+]
InChIInChI=1S/C17H16Cl2O2P.Li/c1-11(2)10-21-12-6-8-13(9-7-12)22-17(20)16-14(18)4-3-5-15(16)19;/h3-9,11H,10H2,1-2H3;/q-1;+1
InChIKeyFHJSKUZRGUBUDL-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.13
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide
CID 141016660
2-chloro-6-(2-methylpropoxy)benzoic acid
CID 19005159
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 18514382
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
CID 173243447
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574
(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone
CID 18513729

Frequently Asked Questions

What is the IUPAC name of lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide?
The IUPAC name of lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide (CID 141015990) is lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide.
What is the SMILES notation for lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide?
The canonical SMILES for lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide is CC(C)COc1ccc([P-]C(=O)c2c(Cl)cccc2Cl)cc1.[Li+].
What is the InChIKey of lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide?
The InChIKey is FHJSKUZRGUBUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2P.Li/c1-11(2)10-21-12-6-8-13(9-7-12)22-17(20)16-14(18)4-3-5-15(16)19;/h3-9,11H,10H2,1-2H3;/q-1;+1.
What are the key properties of lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide?
lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide has a molecular weight of 361.13 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide is sourced from PubChem (CID 141015990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).