lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride

C10H13ClLiOP — CID 174400898

IUPAClithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride
SMILESCCPC(=O)c1c(C)cccc1Cl.[H-].[Li+]
InChIInChI=1S/C10H12ClOP.Li.H/c1-3-13-10(12)9-7(2)5-4-6-8(9)11;;/h4-6,13H,3H2,1-2H3;;/q;+1;-1
InChIKeyFMMKOVFULXRHDC-UHFFFAOYSA-N
MW222.58 g/mol
LogP0.60
Rot. Bonds3

About lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride

lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride (PubChem CID 174400898) has the molecular formula C10H13ClLiOP and a molecular weight of 222.58 g/mol. Its IUPAC name is lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride
PubChem CID174400898
Molecular FormulaC10H13ClLiOP
Molecular Weight222.58 g/mol
Exact Mass222.06
IUPAC Namelithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride
SMILESCCPC(=O)c1c(C)cccc1Cl.[H-].[Li+]
InChIInChI=1S/C10H12ClOP.Li.H/c1-3-13-10(12)9-7(2)5-4-6-8(9)11;;/h4-6,13H,3H2,1-2H3;;/q;+1;-1
InChIKeyFMMKOVFULXRHDC-UHFFFAOYSA-N
XLogP0.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;ethylphosphanyl-(2-methyl-6-phenylphenyl)methanone;hydride
CID 174386730
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
(2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone
CID 18513613
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
CID 163302600
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
CID 70013385
CID 70013385
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
CID 158168490
CID 158168490
methyl 2-(2-chloro-6-methylphenyl)-2-oxoacetate
CID 130137004

Frequently Asked Questions

What is the IUPAC name of lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride?
The IUPAC name of lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride (CID 174400898) is lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride?
The canonical SMILES for lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride is CCPC(=O)c1c(C)cccc1Cl.[H-].[Li+].
What is the InChIKey of lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride?
The InChIKey is FMMKOVFULXRHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClOP.Li.H/c1-3-13-10(12)9-7(2)5-4-6-8(9)11;;/h4-6,13H,3H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride?
lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride has a molecular weight of 222.58 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride is sourced from PubChem (CID 174400898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).