lithium 1-phenylmethoxyethenolate

C9H9LiO2 — CID 23696401

IUPAClithium 1-phenylmethoxyethenolate
SMILESC=C([O-])OCc1ccccc1.[Li+]
InChIInChI=1S/C9H10O2.Li/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6,10H,1,7H2;/q;+1/p-1
InChIKeyPBXIIXRZLMUAJK-UHFFFAOYSA-M
MW156.11 g/mol
LogP-1.96
Rot. Bonds3

About lithium 1-phenylmethoxyethenolate

lithium 1-phenylmethoxyethenolate (PubChem CID 23696401) has the molecular formula C9H9LiO2 and a molecular weight of 156.11 g/mol. Its IUPAC name is lithium 1-phenylmethoxyethenolate.

Molecular Properties

Compound Namelithium 1-phenylmethoxyethenolate
PubChem CID23696401
Molecular FormulaC9H9LiO2
Molecular Weight156.11 g/mol
Exact Mass156.08
IUPAC Namelithium 1-phenylmethoxyethenolate
SMILESC=C([O-])OCc1ccccc1.[Li+]
InChIInChI=1S/C9H10O2.Li/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6,10H,1,7H2;/q;+1/p-1
InChIKeyPBXIIXRZLMUAJK-UHFFFAOYSA-M
XLogP-1.96
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 5-1.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-phenylmethoxyprop-2-enoic acid
CID 14954752
N-methyl-1-phenylmethoxymethanimidate
CID 123332537
sodium;O-benzyl carbamothioate;carbamothioate
CID 166769787
2-phenylmethoxyprop-2-enenitrile
CID 23172777
(E)-3-methyl-1-phenylmethoxybut-1-en-1-ol
CID 15837583
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
1-phenylethenoxymethylbenzene;tetrabromomethane
CID 174884252
CID 174906307
CID 174906307
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene
CID 134286025
4-oxo-4-phenylmethoxybut-2-enoate
CID 53421494
4-methylpenta-1,3-dien-2-yloxymethylbenzene
CID 143601127

Frequently Asked Questions

What is the IUPAC name of lithium 1-phenylmethoxyethenolate?
The IUPAC name of lithium 1-phenylmethoxyethenolate (CID 23696401) is lithium 1-phenylmethoxyethenolate.
What is the SMILES notation for lithium 1-phenylmethoxyethenolate?
The canonical SMILES for lithium 1-phenylmethoxyethenolate is C=C([O-])OCc1ccccc1.[Li+].
What is the InChIKey of lithium 1-phenylmethoxyethenolate?
The InChIKey is PBXIIXRZLMUAJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O2.Li/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6,10H,1,7H2;/q;+1/p-1.
What are the key properties of lithium 1-phenylmethoxyethenolate?
lithium 1-phenylmethoxyethenolate has a molecular weight of 156.11 g/mol, XLogP of -1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-phenylmethoxyethenolate is sourced from PubChem (CID 23696401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).