[4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane

C12H19BiO — CID 87969572

IUPAC[4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane
SMILESCCOCc1ccc([Bi](C)C)cc1C
InChIInChI=1S/C10H13O.2CH3.Bi/c1-3-11-8-10-7-5-4-6-9(10)2;;;/h5-7H,3,8H2,1-2H3;2*1H3;
InChIKeyVGKHDXNQAGTFJC-UHFFFAOYSA-N
MW388.26 g/mol
LogP2.49
Rot. Bonds4

About [4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane

[4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane (PubChem CID 87969572) has the molecular formula C12H19BiO and a molecular weight of 388.26 g/mol. Its IUPAC name is [4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane.

Molecular Properties

Compound Name[4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane
PubChem CID87969572
Molecular FormulaC12H19BiO
Molecular Weight388.26 g/mol
Exact Mass388.12
IUPAC Name[4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane
SMILESCCOCc1ccc([Bi](C)C)cc1C
InChIInChI=1S/C10H13O.2CH3.Bi/c1-3-11-8-10-7-5-4-6-9(10)2;;;/h5-7H,3,8H2,1-2H3;2*1H3;
InChIKeyVGKHDXNQAGTFJC-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane 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 [4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane?
The IUPAC name of [4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane (CID 87969572) is [4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane.
What is the SMILES notation for [4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane?
The canonical SMILES for [4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane is CCOCc1ccc([Bi](C)C)cc1C.
What is the InChIKey of [4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane?
The InChIKey is VGKHDXNQAGTFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O.2CH3.Bi/c1-3-11-8-10-7-5-4-6-9(10)2;;;/h5-7H,3,8H2,1-2H3;2*1H3;.
What are the key properties of [4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane?
[4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane has a molecular weight of 388.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane is sourced from PubChem (CID 87969572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).