lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone

C14H22LiO4P — CID 174400572

IUPAClithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)PCC(C)C)c1OC.[H-].[Li+]
InChIInChI=1S/C14H21O4P.Li.H/c1-9(2)8-19-14(15)12-10(16-3)6-7-11(17-4)13(12)18-5;;/h6-7,9,19H,8H2,1-5H3;;/q;+1;-1
InChIKeyYBIRZLKGXVEKKF-UHFFFAOYSA-N
MW292.24 g/mol
LogP0.30
Rot. Bonds7

About lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone

lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone (PubChem CID 174400572) has the molecular formula C14H22LiO4P and a molecular weight of 292.24 g/mol. Its IUPAC name is lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Namelithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone
PubChem CID174400572
Molecular FormulaC14H22LiO4P
Molecular Weight292.24 g/mol
Exact Mass292.14
IUPAC Namelithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)PCC(C)C)c1OC.[H-].[Li+]
InChIInChI=1S/C14H21O4P.Li.H/c1-9(2)8-19-14(15)12-10(16-3)6-7-11(17-4)13(12)18-5;;/h6-7,9,19H,8H2,1-5H3;;/q;+1;-1
InChIKeyYBIRZLKGXVEKKF-UHFFFAOYSA-N
XLogP0.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
CID 174399349
CID 162326255
CID 162326255
CID 159254576
CID 159254576
lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide
CID 141023181
sodium 6-iodo-2,3-dimethoxybenzoate
CID 24721325
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
2-methylpropyl 3-chlorosulfonyl-2,6-dimethoxybenzoate
CID 65398129
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148
lithium;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504
2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352963
6-carbamoyl-2,3-dimethoxybenzoic acid
CID 90976735

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone?
The IUPAC name of lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone (CID 174400572) is lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone.
What is the SMILES notation for lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone?
The canonical SMILES for lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)PCC(C)C)c1OC.[H-].[Li+].
What is the InChIKey of lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone?
The InChIKey is YBIRZLKGXVEKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O4P.Li.H/c1-9(2)8-19-14(15)12-10(16-3)6-7-11(17-4)13(12)18-5;;/h6-7,9,19H,8H2,1-5H3;;/q;+1;-1.
What are the key properties of lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone?
lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone has a molecular weight of 292.24 g/mol, XLogP of 0.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 174400572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).