CID 67496590

C12H12LiO2 — CID 67496590

IUPAC—
SMILESOc1ccccc1.Oc1ccccc1.[Li]
InChIInChI=1S/2C6H6O.Li/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;
InChIKeyBMHQSHWGTTVIAG-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.40
Rot. Bonds

About CID 67496590

CID 67496590 (PubChem CID 67496590) has the molecular formula C12H12LiO2 and a molecular weight of 195.17 g/mol.

Molecular Properties

Compound NameCID 67496590
PubChem CID67496590
Molecular FormulaC12H12LiO2
Molecular Weight195.17 g/mol
Exact Mass195.10
IUPAC Name—
SMILESOc1ccccc1.Oc1ccccc1.[Li]
InChIInChI=1S/2C6H6O.Li/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;
InChIKeyBMHQSHWGTTVIAG-UHFFFAOYSA-N
XLogP2.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 67496590?
The IUPAC name of CID 67496590 (CID 67496590) is not available.
What is the SMILES notation for CID 67496590?
The canonical SMILES for CID 67496590 is Oc1ccccc1.Oc1ccccc1.[Li].
What is the InChIKey of CID 67496590?
The InChIKey is BMHQSHWGTTVIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.Li/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;.
What are the key properties of CID 67496590?
CID 67496590 has a molecular weight of 195.17 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67496590 is sourced from PubChem (CID 67496590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).