2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate

C12H17BiO3 — CID 140918668

IUPAC2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate
SMILESC[Bi](C)C(C(=O)OCCO)c1ccccc1
InChIInChI=1S/C10H11O3.2CH3.Bi/c11-6-7-13-10(12)8-9-4-2-1-3-5-9;;;/h1-5,8,11H,6-7H2;2*1H3;
InChIKeyNTDDFOKOCKUUMU-UHFFFAOYSA-N
MW418.25 g/mol
LogP1.60
Rot. Bonds5

About 2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate

2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate (PubChem CID 140918668) has the molecular formula C12H17BiO3 and a molecular weight of 418.25 g/mol. Its IUPAC name is 2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate
PubChem CID140918668
Molecular FormulaC12H17BiO3
Molecular Weight418.25 g/mol
Exact Mass418.10
IUPAC Name2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate
SMILESC[Bi](C)C(C(=O)OCCO)c1ccccc1
InChIInChI=1S/C10H11O3.2CH3.Bi/c11-6-7-13-10(12)8-9-4-2-1-3-5-9;;;/h1-5,8,11H,6-7H2;2*1H3;
InChIKeyNTDDFOKOCKUUMU-UHFFFAOYSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate?
The IUPAC name of 2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate (CID 140918668) is 2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate.
What is the SMILES notation for 2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate?
The canonical SMILES for 2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate is C[Bi](C)C(C(=O)OCCO)c1ccccc1.
What is the InChIKey of 2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate?
The InChIKey is NTDDFOKOCKUUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O3.2CH3.Bi/c11-6-7-13-10(12)8-9-4-2-1-3-5-9;;;/h1-5,8,11H,6-7H2;2*1H3;.
What are the key properties of 2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate?
2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate has a molecular weight of 418.25 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-dimethylbismuthanyl-2-phenylacetate is sourced from PubChem (CID 140918668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).