lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride

C27H24LiO3P — CID 173243461

IUPAClithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride
SMILESCc1cccc(C)c1C(=O)Pc1ccc(Oc2ccccc2)cc1Oc1ccccc1.[H-].[Li+]
InChIInChI=1S/C27H23O3P.Li.H/c1-19-10-9-11-20(2)26(19)27(28)31-25-17-16-23(29-21-12-5-3-6-13-21)18-24(25)30-22-14-7-4-8-15-22;;/h3-18,31H,1-2H3;;/q;+1;-1
InChIKeyWNZYSWVJOYUHDB-UHFFFAOYSA-N
MW434.40 g/mol
LogP4.15
Rot. Bonds7

About lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride

lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride (PubChem CID 173243461) has the molecular formula C27H24LiO3P and a molecular weight of 434.40 g/mol. Its IUPAC name is lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride
PubChem CID173243461
Molecular FormulaC27H24LiO3P
Molecular Weight434.40 g/mol
Exact Mass434.16
IUPAC Namelithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride
SMILESCc1cccc(C)c1C(=O)Pc1ccc(Oc2ccccc2)cc1Oc1ccccc1.[H-].[Li+]
InChIInChI=1S/C27H23O3P.Li.H/c1-19-10-9-11-20(2)26(19)27(28)31-25-17-16-23(29-21-12-5-3-6-13-21)18-24(25)30-22-14-7-4-8-15-22;;/h3-18,31H,1-2H3;;/q;+1;-1
InChIKeyWNZYSWVJOYUHDB-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.15
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

CID 70012958
CID 70012958
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
CID 70014914
CID 70014914
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
CID 18514058
CID 70016722
CID 70016722
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
[3-benzoyloxy-4-(4-tert-butyl-2,6-dimethylbenzoyl)phosphanylphenyl] benzoate
CID 139895712
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
CID 70013385
CID 70013385
lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514113
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride (CID 173243461) is lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride is Cc1cccc(C)c1C(=O)Pc1ccc(Oc2ccccc2)cc1Oc1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride?
The InChIKey is WNZYSWVJOYUHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23O3P.Li.H/c1-19-10-9-11-20(2)26(19)27(28)31-25-17-16-23(29-21-12-5-3-6-13-21)18-24(25)30-22-14-7-4-8-15-22;;/h3-18,31H,1-2H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride?
lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride has a molecular weight of 434.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173243461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).