2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane

C21H24O4 — CID 142851433

IUPAC2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
SMILESCc1cc(-c2cc(C)c(OCC3CO3)c(C)c2)ccc1OCC1CO1
InChIInChI=1S/C21H24O4/c1-13-6-16(4-5-20(13)24-11-18-9-22-18)17-7-14(2)21(15(3)8-17)25-12-19-10-23-19/h4-8,18-19H,9-12H2,1-3H3
InChIKeyLSPMXQWHAQIKHF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.83
Rot. Bonds7

About 2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane

2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane (PubChem CID 142851433) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
PubChem CID142851433
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
SMILESCc1cc(-c2cc(C)c(OCC3CO3)c(C)c2)ccc1OCC1CO1
InChIInChI=1S/C21H24O4/c1-13-6-16(4-5-20(13)24-11-18-9-22-18)17-7-14(2)21(15(3)8-17)25-12-19-10-23-19/h4-8,18-19H,9-12H2,1-3H3
InChIKeyLSPMXQWHAQIKHF-UHFFFAOYSA-N
XLogP3.83
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane
CID 87199464
4-amino-2-iodo-6-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]-3-(oxiran-2-ylmethoxy)benzenethiol
CID 129210392
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
2-[3-[4-[3,5-dimethyl-4-[3-(oxiran-2-ylmethoxy)propoxy]phenyl]-2,6-dimethylphenoxy]propoxymethyl]oxirane
CID 101109293
2-[[2-methyl-4-[3,3,5-trimethyl-4-(oxiran-2-ylmethoxy)cyclohexa-1,4-dien-1-yl]phenoxy]methyl]oxirane
CID 22996808
2-[[2-methyl-4-[[10-[[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]anthracen-9-yl]methyl]phenoxy]methyl]oxirane
CID 157341670
2-[2-[2-methyl-4-[3-methyl-5-[[3-methyl-5-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-2-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-phenylmethyl]-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 155033612
2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane
CID 170966113
2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 167599846
2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane
CID 158952710
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59027775
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane (CID 142851433) is 2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane is Cc1cc(-c2cc(C)c(OCC3CO3)c(C)c2)ccc1OCC1CO1.
What is the InChIKey of 2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?
The InChIKey is LSPMXQWHAQIKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-13-6-16(4-5-20(13)24-11-18-9-22-18)17-7-14(2)21(15(3)8-17)25-12-19-10-23-19/h4-8,18-19H,9-12H2,1-3H3.
What are the key properties of 2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane?
2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane has a molecular weight of 340.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 142851433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).