CID 57468221

C4H4LiO — CID 57468221

IUPAC—
SMILES[Li].c1ccoc1
InChIInChI=1S/C4H4O.Li/c1-2-4-5-3-1;/h1-4H;
InChIKeyPNYMJRGXLOWWOT-UHFFFAOYSA-N
MW75.02 g/mol
LogP0.90
Rot. Bonds

About CID 57468221

CID 57468221 (PubChem CID 57468221) has the molecular formula C4H4LiO and a molecular weight of 75.02 g/mol.

Molecular Properties

Compound NameCID 57468221
PubChem CID57468221
Molecular FormulaC4H4LiO
Molecular Weight75.02 g/mol
Exact Mass75.04
IUPAC Name—
SMILES[Li].c1ccoc1
InChIInChI=1S/C4H4O.Li/c1-2-4-5-3-1;/h1-4H;
InChIKeyPNYMJRGXLOWWOT-UHFFFAOYSA-N
XLogP0.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.02
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 57468221?
The IUPAC name of CID 57468221 (CID 57468221) is not available.
What is the SMILES notation for CID 57468221?
The canonical SMILES for CID 57468221 is [Li].c1ccoc1.
What is the InChIKey of CID 57468221?
The InChIKey is PNYMJRGXLOWWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.Li/c1-2-4-5-3-1;/h1-4H;.
What are the key properties of CID 57468221?
CID 57468221 has a molecular weight of 75.02 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57468221 is sourced from PubChem (CID 57468221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).