2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane

C22H26O3 — CID 57142561

IUPAC2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESCCc1ccc(C(OC(c2ccc(CC)cc2)C2CO2)C2CO2)cc1
InChIInChI=1S/C22H26O3/c1-3-15-5-9-17(10-6-15)21(19-13-23-19)25-22(20-14-24-20)18-11-7-16(4-2)8-12-18/h5-12,19-22H,3-4,13-14H2,1-2H3
InChIKeyQQRNYLWHWIMEOY-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.41
Rot. Bonds8

About 2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane

2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane (PubChem CID 57142561) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
PubChem CID57142561
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESCCc1ccc(C(OC(c2ccc(CC)cc2)C2CO2)C2CO2)cc1
InChIInChI=1S/C22H26O3/c1-3-15-5-9-17(10-6-15)21(19-13-23-19)25-22(20-14-24-20)18-11-7-16(4-2)8-12-18/h5-12,19-22H,3-4,13-14H2,1-2H3
InChIKeyQQRNYLWHWIMEOY-UHFFFAOYSA-N
XLogP4.41
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)-propan-2-yloxymethyl]oxirane
CID 54042646
2-(4-ethylphenyl)oxirane
CID 10374595
(2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane
CID 22838647
2-[pentoxy(phenyl)methyl]oxirane
CID 56615808
1-(dimethoxymethyl)-4-ethylbenzene
CID 20549049
[oxiran-2-yl(phenyl)methyl] hypobromite
CID 174319949
2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxyphenyl)-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]phenol
CID 139646322
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 79089425
3-(4-ethylphenyl)butan-2-amine
CID 66439374

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The IUPAC name of 2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane (CID 57142561) is 2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane.
What is the SMILES notation for 2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The canonical SMILES for 2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane is CCc1ccc(C(OC(c2ccc(CC)cc2)C2CO2)C2CO2)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The InChIKey is QQRNYLWHWIMEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-3-15-5-9-17(10-6-15)21(19-13-23-19)25-22(20-14-24-20)18-11-7-16(4-2)8-12-18/h5-12,19-22H,3-4,13-14H2,1-2H3.
What are the key properties of 2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane has a molecular weight of 338.45 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)-[(4-ethylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane is sourced from PubChem (CID 57142561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).