2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane

C18H18O6S — CID 2831290

IUPAC2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane
SMILESO=S(=O)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C18H18O6S/c19-25(20,17-5-1-13(2-6-17)21-9-15-11-23-15)18-7-3-14(4-8-18)22-10-16-12-24-16/h1-8,15-16H,9-12H2
InChIKeyRLTACIWKRKVZKZ-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.07
Rot. Bonds8

About 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane

2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane (PubChem CID 2831290) has the molecular formula C18H18O6S and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane
PubChem CID2831290
Molecular FormulaC18H18O6S
Molecular Weight362.40 g/mol
Exact Mass362.08
IUPAC Name2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane
SMILESO=S(=O)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C18H18O6S/c19-25(20,17-5-1-13(2-6-17)21-9-15-11-23-15)18-7-3-14(4-8-18)22-10-16-12-24-16/h1-8,15-16H,9-12H2
InChIKeyRLTACIWKRKVZKZ-UHFFFAOYSA-N
XLogP2.07
TPSA77.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxyphenyl 4-isopropoxyphenylsulfone
CID 9904141
SB-3CT
CID 9883002
4-(4-Allyloxy-benzenesulfonyl)-phenol
CID 2054598
3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiol
CID 10267279
2,2'-(Sulphonylbis(4,1-phenyleneoxy))bisethanol
CID 95071
1-Ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene
CID 647878
4-(4-Phenoxyphenylsulfonyl)butane-1,2-dithiol
CID 10043732
4-(4-(Thiiran-2-ylmethylsulfonyl)phenoxy)phenyl methanesulfonate
CID 15941677
4-(4-(Thiiranylmethylsulfonyl)phenoxy)-phenylethanesulfonate
CID 15941679
4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl propane-1-sulfonate
CID 15941680
2-[[4-(4-Iodophenoxy)phenyl]sulfonylmethyl]thiirane
CID 70682288
4-[(3,4-Dimethoxyphenyl)sulfonyl]-1,2-dimethoxybenzene
CID 650478

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane (CID 2831290) is 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane is O=S(=O)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane?
The InChIKey is RLTACIWKRKVZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6S/c19-25(20,17-5-1-13(2-6-17)21-9-15-11-23-15)18-7-3-14(4-8-18)22-10-16-12-24-16/h1-8,15-16H,9-12H2.
What are the key properties of 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane?
2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane has a molecular weight of 362.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane is sourced from PubChem (CID 2831290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).