lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride

C13H18BrClLiO3P — CID 174399366

IUPAClithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
SMILESCOc1c(Cl)cc(Br)c(OC)c1C(=O)PCC(C)C.[H-].[Li+]
InChIInChI=1S/C13H17BrClO3P.Li.H/c1-7(2)6-19-13(16)10-11(17-3)8(14)5-9(15)12(10)18-4;;/h5,7,19H,6H2,1-4H3;;/q;+1;-1
InChIKeySLWHHJLFAPNSQS-UHFFFAOYSA-N
MW375.56 g/mol
LogP1.71
Rot. Bonds6

About lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride

lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride (PubChem CID 174399366) has the molecular formula C13H18BrClLiO3P and a molecular weight of 375.56 g/mol. Its IUPAC name is lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
PubChem CID174399366
Molecular FormulaC13H18BrClLiO3P
Molecular Weight375.56 g/mol
Exact Mass374.00
IUPAC Namelithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
SMILESCOc1c(Cl)cc(Br)c(OC)c1C(=O)PCC(C)C.[H-].[Li+]
InChIInChI=1S/C13H17BrClO3P.Li.H/c1-7(2)6-19-13(16)10-11(17-3)8(14)5-9(15)12(10)18-4;;/h5,7,19H,6H2,1-4H3;;/q;+1;-1
InChIKeySLWHHJLFAPNSQS-UHFFFAOYSA-N
XLogP1.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 51.71
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

3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride
CID 13202164
methyl 3-bromo-2,5-dichloro-6-methoxybenzoate
CID 118562173
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone
CID 117473741
1-(3-bromo-2,5-dichloro-6-methoxyphenyl)ethanone;1-(3,6-dichloro-2-methoxyphenyl)ethanone
CID 158928110
1-(3-bromo-5-chloro-4-methoxyphenyl)-2-chloroethanone
CID 171002004
CID 158168490
CID 158168490
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide
CID 134967493
(3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate
CID 141023017
methyl 3-amino-4-cyano-1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrole-2-carboxylate
CID 168546977
2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride
CID 18184515

Frequently Asked Questions

What is the IUPAC name of lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride?
The IUPAC name of lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride (CID 174399366) is lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride.
What is the SMILES notation for lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride?
The canonical SMILES for lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride is COc1c(Cl)cc(Br)c(OC)c1C(=O)PCC(C)C.[H-].[Li+].
What is the InChIKey of lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride?
The InChIKey is SLWHHJLFAPNSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClO3P.Li.H/c1-7(2)6-19-13(16)10-11(17-3)8(14)5-9(15)12(10)18-4;;/h5,7,19H,6H2,1-4H3;;/q;+1;-1.
What are the key properties of lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride?
lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride has a molecular weight of 375.56 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride is sourced from PubChem (CID 174399366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).