lithium 4-methoxy-1H-2-benzofuran-1-ide

C9H7LiO2 — CID 138973528

IUPAClithium 4-methoxy-1H-2-benzofuran-1-ide
SMILESCOc1cccc2[c-]occ12.[Li+]
InChIInChI=1S/C9H7O2.Li/c1-10-9-4-2-3-7-5-11-6-8(7)9;/h2-4,6H,1H3;/q-1;+1
InChIKeyVWNZHWDVAIZDHQ-UHFFFAOYSA-N
MW154.09 g/mol
LogP-0.75
Rot. Bonds1

About lithium 4-methoxy-1H-2-benzofuran-1-ide

lithium 4-methoxy-1H-2-benzofuran-1-ide (PubChem CID 138973528) has the molecular formula C9H7LiO2 and a molecular weight of 154.09 g/mol. Its IUPAC name is lithium 4-methoxy-1H-2-benzofuran-1-ide.

Molecular Properties

Compound Namelithium 4-methoxy-1H-2-benzofuran-1-ide
PubChem CID138973528
Molecular FormulaC9H7LiO2
Molecular Weight154.09 g/mol
Exact Mass154.06
IUPAC Namelithium 4-methoxy-1H-2-benzofuran-1-ide
SMILESCOc1cccc2[c-]occ12.[Li+]
InChIInChI=1S/C9H7O2.Li/c1-10-9-4-2-3-7-5-11-6-8(7)9;/h2-4,6H,1H3;/q-1;+1
InChIKeyVWNZHWDVAIZDHQ-UHFFFAOYSA-N
XLogP-0.75
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Benzofuranyllithium
CID 129859628
(E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
CID 134844162
lithium (3S)-3,6-dimethyl-3,5-dihydro-2H-1-benzofuran-5-ide
CID 134943604
6-Methoxycyclopenta[a]inden-4-olate
CID 134966409
(E)-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
CID 134993306
lithium 7-methoxy-1H-2-benzofuran-1-ide
CID 138971374
Lithium 2,3-dihydro-1-benzofuran-5-ide
CID 71374665
Lithium, (1,4,8-trimethoxy-2-naphthalenyl)-
CID 10822991
Bromo(2,3-dihydro-1-benzofuran-6-yl)magnesium
CID 11229820
2,4-Dihydro-1-benzofuran
CID 18800880
1,6-Dihydro-2-benzofuran
CID 23282093
3-methoxy-5H-indene
CID 57180917

Frequently Asked Questions

What is the IUPAC name of lithium 4-methoxy-1H-2-benzofuran-1-ide?
The IUPAC name of lithium 4-methoxy-1H-2-benzofuran-1-ide (CID 138973528) is lithium 4-methoxy-1H-2-benzofuran-1-ide.
What is the SMILES notation for lithium 4-methoxy-1H-2-benzofuran-1-ide?
The canonical SMILES for lithium 4-methoxy-1H-2-benzofuran-1-ide is COc1cccc2[c-]occ12.[Li+].
What is the InChIKey of lithium 4-methoxy-1H-2-benzofuran-1-ide?
The InChIKey is VWNZHWDVAIZDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7O2.Li/c1-10-9-4-2-3-7-5-11-6-8(7)9;/h2-4,6H,1H3;/q-1;+1.
What are the key properties of lithium 4-methoxy-1H-2-benzofuran-1-ide?
lithium 4-methoxy-1H-2-benzofuran-1-ide has a molecular weight of 154.09 g/mol, XLogP of -0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-methoxy-1H-2-benzofuran-1-ide is sourced from PubChem (CID 138973528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).