lithium 3,5-dihydro-2H-1-benzofuran-5-ide

C8H7LiO — CID 71374665

IUPAClithium 3,5-dihydro-2H-1-benzofuran-5-ide
SMILES[Li+].[c-]1ccc2c(c1)CCO2
InChIInChI=1S/C8H7O.Li/c1-2-4-8-7(3-1)5-6-9-8;/h2-4H,5-6H2;/q-1;+1
InChIKeyNLULECBXCNYHEM-UHFFFAOYSA-N
MW126.08 g/mol
LogP-1.57
Rot. Bonds

About lithium 3,5-dihydro-2H-1-benzofuran-5-ide

lithium 3,5-dihydro-2H-1-benzofuran-5-ide (PubChem CID 71374665) has the molecular formula C8H7LiO and a molecular weight of 126.08 g/mol. Its IUPAC name is lithium 3,5-dihydro-2H-1-benzofuran-5-ide.

Molecular Properties

Compound Namelithium 3,5-dihydro-2H-1-benzofuran-5-ide
PubChem CID71374665
Molecular FormulaC8H7LiO
Molecular Weight126.08 g/mol
Exact Mass126.07
IUPAC Namelithium 3,5-dihydro-2H-1-benzofuran-5-ide
SMILES[Li+].[c-]1ccc2c(c1)CCO2
InChIInChI=1S/C8H7O.Li/c1-2-4-8-7(3-1)5-6-9-8;/h2-4H,5-6H2;/q-1;+1
InChIKeyNLULECBXCNYHEM-UHFFFAOYSA-N
XLogP-1.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 3,5-dihydro-2H-1-benzofuran-5-ide?
The IUPAC name of lithium 3,5-dihydro-2H-1-benzofuran-5-ide (CID 71374665) is lithium 3,5-dihydro-2H-1-benzofuran-5-ide.
What is the SMILES notation for lithium 3,5-dihydro-2H-1-benzofuran-5-ide?
The canonical SMILES for lithium 3,5-dihydro-2H-1-benzofuran-5-ide is [Li+].[c-]1ccc2c(c1)CCO2.
What is the InChIKey of lithium 3,5-dihydro-2H-1-benzofuran-5-ide?
The InChIKey is NLULECBXCNYHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O.Li/c1-2-4-8-7(3-1)5-6-9-8;/h2-4H,5-6H2;/q-1;+1.
What are the key properties of lithium 3,5-dihydro-2H-1-benzofuran-5-ide?
lithium 3,5-dihydro-2H-1-benzofuran-5-ide has a molecular weight of 126.08 g/mol, XLogP of -1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,5-dihydro-2H-1-benzofuran-5-ide is sourced from PubChem (CID 71374665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).