(3-phenoxydioxiran-3-yl)methanol

C8H8O4 — CID 174407047

IUPAC(3-phenoxydioxiran-3-yl)methanol
SMILESOCC1(Oc2ccccc2)OO1
InChIInChI=1S/C8H8O4/c9-6-8(11-12-8)10-7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyUUNIBBVXBDEWQF-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.67
Rot. Bonds3

About (3-phenoxydioxiran-3-yl)methanol

(3-phenoxydioxiran-3-yl)methanol (PubChem CID 174407047) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (3-phenoxydioxiran-3-yl)methanol.

Molecular Properties

Compound Name(3-phenoxydioxiran-3-yl)methanol
PubChem CID174407047
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(3-phenoxydioxiran-3-yl)methanol
SMILESOCC1(Oc2ccccc2)OO1
InChIInChI=1S/C8H8O4/c9-6-8(11-12-8)10-7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyUUNIBBVXBDEWQF-UHFFFAOYSA-N
XLogP0.67
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.67
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

bismuthane;(3-phenoxydioxiran-3-yl)methanol
CID 174407046
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
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
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
(3S,4S,5R)-5-(hydroxymethyl)-2-nitro-2-phenoxyoxolane-3,4-diol
CID 67760147
(4-phenylphenoxy)methanol
CID 71028246

Frequently Asked Questions

What is the IUPAC name of (3-phenoxydioxiran-3-yl)methanol?
The IUPAC name of (3-phenoxydioxiran-3-yl)methanol (CID 174407047) is (3-phenoxydioxiran-3-yl)methanol.
What is the SMILES notation for (3-phenoxydioxiran-3-yl)methanol?
The canonical SMILES for (3-phenoxydioxiran-3-yl)methanol is OCC1(Oc2ccccc2)OO1.
What is the InChIKey of (3-phenoxydioxiran-3-yl)methanol?
The InChIKey is UUNIBBVXBDEWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c9-6-8(11-12-8)10-7-4-2-1-3-5-7/h1-5,9H,6H2.
What are the key properties of (3-phenoxydioxiran-3-yl)methanol?
(3-phenoxydioxiran-3-yl)methanol has a molecular weight of 168.15 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxydioxiran-3-yl)methanol is sourced from PubChem (CID 174407047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).