lithium 2-phenylacetate

C8H7LiO2 — CID 19205773

IUPAClithium 2-phenylacetate
SMILESO=C([O-])Cc1ccccc1.[Li+]
InChIInChI=1S/C8H8O2.Li/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
InChIKeyZSICDRPAYOOLQB-UHFFFAOYSA-M
MW142.08 g/mol
LogP-3.02
Rot. Bonds2

About lithium 2-phenylacetate

lithium 2-phenylacetate (PubChem CID 19205773) has the molecular formula C8H7LiO2 and a molecular weight of 142.08 g/mol. Its IUPAC name is lithium 2-phenylacetate.

Molecular Properties

Compound Namelithium 2-phenylacetate
PubChem CID19205773
Molecular FormulaC8H7LiO2
Molecular Weight142.08 g/mol
Exact Mass142.06
IUPAC Namelithium 2-phenylacetate
SMILESO=C([O-])Cc1ccccc1.[Li+]
InChIInChI=1S/C8H8O2.Li/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
InChIKeyZSICDRPAYOOLQB-UHFFFAOYSA-M
XLogP-3.02
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 5-3.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

calcium;hydride;2-phenylacetic acid
CID 173132712
2-[3-(carboxylatomethyl)phenyl]acetate
CID 6931669
1,3-diphenyl(213C)propan-2-one
CID 100945080
sodium;N,N-dichloro-2-phenylethanamine;2-phenylacetate
CID 174345984
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
tris(2-phenylacetic acid);rhodium
CID 11168112
benzyltin(3+) triacetate
CID 161126164
calcium bis(4-phenylbutanoate)
CID 11187721
lithium 4-phenylbutanoate
CID 50923149
formaldehyde;2-phenylacetic acid
CID 70638018

Frequently Asked Questions

What is the IUPAC name of lithium 2-phenylacetate?
The IUPAC name of lithium 2-phenylacetate (CID 19205773) is lithium 2-phenylacetate.
What is the SMILES notation for lithium 2-phenylacetate?
The canonical SMILES for lithium 2-phenylacetate is O=C([O-])Cc1ccccc1.[Li+].
What is the InChIKey of lithium 2-phenylacetate?
The InChIKey is ZSICDRPAYOOLQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O2.Li/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 2-phenylacetate?
lithium 2-phenylacetate has a molecular weight of 142.08 g/mol, XLogP of -3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-phenylacetate is sourced from PubChem (CID 19205773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).