lithium 1-phenylethanone

C8H8LiO+ — CID 22269591

IUPAClithium 1-phenylethanone
SMILESCC(=O)c1ccccc1.[Li+]
InChIInChI=1S/C8H8O.Li/c1-7(9)8-5-3-2-4-6-8;/h2-6H,1H3;/q;+1
InChIKeyJBZKHOZNKBSCHC-UHFFFAOYSA-N
MW127.09 g/mol
LogP-1.11
Rot. Bonds1

About lithium 1-phenylethanone

lithium 1-phenylethanone (PubChem CID 22269591) has the molecular formula C8H8LiO+ and a molecular weight of 127.09 g/mol. Its IUPAC name is lithium 1-phenylethanone.

Molecular Properties

Compound Namelithium 1-phenylethanone
PubChem CID22269591
Molecular FormulaC8H8LiO+
Molecular Weight127.09 g/mol
Exact Mass127.07
IUPAC Namelithium 1-phenylethanone
SMILESCC(=O)c1ccccc1.[Li+]
InChIInChI=1S/C8H8O.Li/c1-7(9)8-5-3-2-4-6-8;/h2-6H,1H3;/q;+1
InChIKeyJBZKHOZNKBSCHC-UHFFFAOYSA-N
XLogP-1.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.09
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
iron;1-phenylethanone
CID 70488357
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
1-phenylethanone;hydrate;hydrochloride
CID 21258111
ethane;1-phenylethanone;propan-2-one
CID 91456675
CID 173404741
CID 173404741
ethane;molecular hydrogen;1-phenylethanone
CID 143067772
1-phenylethanone;sulfurochloridic acid
CID 23037547
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
CID 22025249
CID 22025249
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339

Frequently Asked Questions

What is the IUPAC name of lithium 1-phenylethanone?
The IUPAC name of lithium 1-phenylethanone (CID 22269591) is lithium 1-phenylethanone.
What is the SMILES notation for lithium 1-phenylethanone?
The canonical SMILES for lithium 1-phenylethanone is CC(=O)c1ccccc1.[Li+].
What is the InChIKey of lithium 1-phenylethanone?
The InChIKey is JBZKHOZNKBSCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.Li/c1-7(9)8-5-3-2-4-6-8;/h2-6H,1H3;/q;+1.
What are the key properties of lithium 1-phenylethanone?
lithium 1-phenylethanone has a molecular weight of 127.09 g/mol, XLogP of -1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-phenylethanone is sourced from PubChem (CID 22269591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).