[2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane

C22H23BiO — CID 22382354

IUPAC[2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane
SMILESCOCc1ccccc1[Bi](c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C8H9O.2C7H7.Bi/c1-9-7-8-5-3-2-4-6-8;2*1-7-5-3-2-4-6-7;/h2-5H,7H2,1H3;2*3-6H,1H3;
InChIKeySNBNAPFZIYLUTA-UHFFFAOYSA-N
MW512.41 g/mol
LogP2.97
Rot. Bonds5

About [2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane

[2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane (PubChem CID 22382354) has the molecular formula C22H23BiO and a molecular weight of 512.41 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane
PubChem CID22382354
Molecular FormulaC22H23BiO
Molecular Weight512.41 g/mol
Exact Mass512.16
IUPAC Name[2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane
SMILESCOCc1ccccc1[Bi](c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C8H9O.2C7H7.Bi/c1-9-7-8-5-3-2-4-6-8;2*1-7-5-3-2-4-6-7;/h2-5H,7H2,1H3;2*3-6H,1H3;
InChIKeySNBNAPFZIYLUTA-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane?
The IUPAC name of [2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane (CID 22382354) is [2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane.
What is the SMILES notation for [2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane?
The canonical SMILES for [2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane is COCc1ccccc1[Bi](c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of [2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane?
The InChIKey is SNBNAPFZIYLUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.2C7H7.Bi/c1-9-7-8-5-3-2-4-6-8;2*1-7-5-3-2-4-6-7;/h2-5H,7H2,1H3;2*3-6H,1H3;.
What are the key properties of [2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane?
[2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane has a molecular weight of 512.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane is sourced from PubChem (CID 22382354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).