bismuthane;(3-phenoxydioxiran-3-yl)methanol

C8H11BiO4 — CID 174407046

IUPACbismuthane;(3-phenoxydioxiran-3-yl)methanol
SMILESOCC1(Oc2ccccc2)OO1.[BiH3]
InChIInChI=1S/C8H8O4.Bi.3H/c9-6-8(11-12-8)10-7-4-2-1-3-5-7;;;;/h1-5,9H,6H2;;;;
InChIKeyALZGCFNVQPFCLO-UHFFFAOYSA-N
MW380.15 g/mol
LogP-0.51
Rot. Bonds3

About bismuthane;(3-phenoxydioxiran-3-yl)methanol

bismuthane;(3-phenoxydioxiran-3-yl)methanol (PubChem CID 174407046) has the molecular formula C8H11BiO4 and a molecular weight of 380.15 g/mol. Its IUPAC name is bismuthane;(3-phenoxydioxiran-3-yl)methanol.

Molecular Properties

Compound Namebismuthane;(3-phenoxydioxiran-3-yl)methanol
PubChem CID174407046
Molecular FormulaC8H11BiO4
Molecular Weight380.15 g/mol
Exact Mass380.05
IUPAC Namebismuthane;(3-phenoxydioxiran-3-yl)methanol
SMILESOCC1(Oc2ccccc2)OO1.[BiH3]
InChIInChI=1S/C8H8O4.Bi.3H/c9-6-8(11-12-8)10-7-4-2-1-3-5-7;;;;/h1-5,9H,6H2;;;;
InChIKeyALZGCFNVQPFCLO-UHFFFAOYSA-N
XLogP-0.51
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3-phenoxydioxiran-3-yl)methanol
CID 174407047
3,3-diphenoxy-4,4-diphenyldioxetane
CID 5259829
2,2-diphenoxy-1,3-benzodioxole
CID 71335520
diphenyl hydrogen phosphite;ethanol
CID 159674253
2-methyl-2-phenoxyoxirane
CID 19360932
7-phenoxyheptan-1-ol
CID 15856264
ethane-1,2-diol;methanol;phenoxybenzene
CID 174609290
hydroxymethoxy(phenoxy)methanol
CID 143884409
butyl-iodo-methyl-phenoxysilane
CID 154487021
9-[3-[2-[2-[3-(9-hydroxynonyl)-2-phenoxyoxiran-2-yl]oxetan-2-yl]oxyoxetan-2-yl]-3-phenoxyoxiran-2-yl]nonan-1-ol
CID 123727821
diethoxy phenyl phosphite
CID 150732863
3-methoxy-2-phenoxypropan-1-ol
CID 154118183

Frequently Asked Questions

What is the IUPAC name of bismuthane;(3-phenoxydioxiran-3-yl)methanol?
The IUPAC name of bismuthane;(3-phenoxydioxiran-3-yl)methanol (CID 174407046) is bismuthane;(3-phenoxydioxiran-3-yl)methanol.
What is the SMILES notation for bismuthane;(3-phenoxydioxiran-3-yl)methanol?
The canonical SMILES for bismuthane;(3-phenoxydioxiran-3-yl)methanol is OCC1(Oc2ccccc2)OO1.[BiH3].
What is the InChIKey of bismuthane;(3-phenoxydioxiran-3-yl)methanol?
The InChIKey is ALZGCFNVQPFCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4.Bi.3H/c9-6-8(11-12-8)10-7-4-2-1-3-5-7;;;;/h1-5,9H,6H2;;;;.
What are the key properties of bismuthane;(3-phenoxydioxiran-3-yl)methanol?
bismuthane;(3-phenoxydioxiran-3-yl)methanol has a molecular weight of 380.15 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;(3-phenoxydioxiran-3-yl)methanol is sourced from PubChem (CID 174407046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).