2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane

C24H30O5 — CID 163213102

IUPAC2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane
SMILESCCCOc1ccc(Oc2ccc(OCCC)cc2CC2CO2)c(CC2CO2)c1
InChIInChI=1S/C24H30O5/c1-3-9-25-19-5-7-23(17(11-19)13-21-15-27-21)29-24-8-6-20(26-10-4-2)12-18(24)14-22-16-28-22/h5-8,11-12,21-22H,3-4,9-10,13-16H2,1-2H3
InChIKeyOAKRJUSVLGMFEH-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.94
Rot. Bonds12

About 2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane

2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane (PubChem CID 163213102) has the molecular formula C24H30O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane
PubChem CID163213102
Molecular FormulaC24H30O5
Molecular Weight398.50 g/mol
Exact Mass398.21
IUPAC Name2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane
SMILESCCCOc1ccc(Oc2ccc(OCCC)cc2CC2CO2)c(CC2CO2)c1
InChIInChI=1S/C24H30O5/c1-3-9-25-19-5-7-23(17(11-19)13-21-15-27-21)29-24-8-6-20(26-10-4-2)12-18(24)14-22-16-28-22/h5-8,11-12,21-22H,3-4,9-10,13-16H2,1-2H3
InChIKeyOAKRJUSVLGMFEH-UHFFFAOYSA-N
XLogP4.94
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Thellungianin G
CID 545130
2,6-Diglycidylphenyl glycidyl ether
CID 26113
6-Glycidyloxynapht-1-yl oxymethyloxirane
CID 4987597
2,2'-[Methylenebis(2,1-phenyleneoxymethylene)]bis[oxirane]
CID 62078
6-Methoxy-2H-1-benzopyran
CID 29052
2,2',2''-(Methylidynetris(phenyleneoxymethylene))tris(oxirane)
CID 3034480
1-(Benzyloxy)-2-[2-(3-methoxyphenyl)ethyl]benzene
CID 11973927
2-Allyl-4-methoxy-1-propoxybenzene (4c)
CID 24770788
2-Phenethyl-2,3-dihydrobenzofuran-5-ol
CID 9881247
6-Allyl-2-phenethyl-2,3-dihydro-benzofuran-5-ol
CID 15161039
1-(2-Fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 76283256
1-(2-Fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene
CID 76283491

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane?
The IUPAC name of 2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane (CID 163213102) is 2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane.
What is the SMILES notation for 2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane?
The canonical SMILES for 2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane is CCCOc1ccc(Oc2ccc(OCCC)cc2CC2CO2)c(CC2CO2)c1.
What is the InChIKey of 2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane?
The InChIKey is OAKRJUSVLGMFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O5/c1-3-9-25-19-5-7-23(17(11-19)13-21-15-27-21)29-24-8-6-20(26-10-4-2)12-18(24)14-22-16-28-22/h5-8,11-12,21-22H,3-4,9-10,13-16H2,1-2H3.
What are the key properties of 2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane?
2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane has a molecular weight of 398.50 g/mol, XLogP of 4.94, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane is sourced from PubChem (CID 163213102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).