lithium;hydride;phenyl acetate

C8H9LiO2 — CID 173276859

IUPAClithium;hydride;phenyl acetate
SMILESCC(=O)Oc1ccccc1.[H-].[Li+]
InChIInChI=1S/C8H8O2.Li.H/c1-7(9)10-8-5-3-2-4-6-8;;/h2-6H,1H3;;/q;+1;-1
InChIKeyKHPSYHGQLLKILK-UHFFFAOYSA-N
MW144.10 g/mol
LogP-1.27
Rot. Bonds1

About lithium;hydride;phenyl acetate

lithium;hydride;phenyl acetate (PubChem CID 173276859) has the molecular formula C8H9LiO2 and a molecular weight of 144.10 g/mol. Its IUPAC name is lithium;hydride;phenyl acetate.

Molecular Properties

Compound Namelithium;hydride;phenyl acetate
PubChem CID173276859
Molecular FormulaC8H9LiO2
Molecular Weight144.10 g/mol
Exact Mass144.08
IUPAC Namelithium;hydride;phenyl acetate
SMILESCC(=O)Oc1ccccc1.[H-].[Li+]
InChIInChI=1S/C8H8O2.Li.H/c1-7(9)10-8-5-3-2-4-6-8;;/h2-6H,1H3;;/q;+1;-1
InChIKeyKHPSYHGQLLKILK-UHFFFAOYSA-N
XLogP-1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;hydride;phenyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;hydride;phenyl acetate
CID 159991718
phenyl acetate;hydroiodide
CID 172788123
diphenyl carbonate;phenyl acetate
CID 90936233
phenoxybenzene;phenyl acetate
CID 159251324
sodium;phenyl acetate;sulfur dioxide
CID 172838332
acetonitrile;phenyl acetate
CID 175488590
azane;ethanol;mercury;phenyl acetate
CID 70517650
phenyl acetate;thiophene
CID 174909325
phenyl acetate;propan-1-ol
CID 70298210
cyclohexane-1,4-diamine;phenyl acetate
CID 160761577
2-phenoxyacetic acid;phenyl acetate
CID 160680696
1-chloro-2-methylbenzene;phenyl acetate
CID 160646986

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;phenyl acetate?
The IUPAC name of lithium;hydride;phenyl acetate (CID 173276859) is lithium;hydride;phenyl acetate.
What is the SMILES notation for lithium;hydride;phenyl acetate?
The canonical SMILES for lithium;hydride;phenyl acetate is CC(=O)Oc1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;hydride;phenyl acetate?
The InChIKey is KHPSYHGQLLKILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.Li.H/c1-7(9)10-8-5-3-2-4-6-8;;/h2-6H,1H3;;/q;+1;-1.
What are the key properties of lithium;hydride;phenyl acetate?
lithium;hydride;phenyl acetate has a molecular weight of 144.10 g/mol, XLogP of -1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;phenyl acetate is sourced from PubChem (CID 173276859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).