2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane

C15H20O4 — CID 170966113

IUPAC2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane
SMILESCc1cc(CCOCC2CO2)ccc1OCC1CO1
InChIInChI=1S/C15H20O4/c1-11-6-12(4-5-16-7-13-8-17-13)2-3-15(11)19-10-14-9-18-14/h2-3,6,13-14H,4-5,7-10H2,1H3
InChIKeyQYWGQHOQUDYLQU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.73
Rot. Bonds8

About 2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane

2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane (PubChem CID 170966113) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane
PubChem CID170966113
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane
SMILESCc1cc(CCOCC2CO2)ccc1OCC1CO1
InChIInChI=1S/C15H20O4/c1-11-6-12(4-5-16-7-13-8-17-13)2-3-15(11)19-10-14-9-18-14/h2-3,6,13-14H,4-5,7-10H2,1H3
InChIKeyQYWGQHOQUDYLQU-UHFFFAOYSA-N
XLogP1.73
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methyl-4-[[10-[[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]anthracen-9-yl]methyl]phenoxy]methyl]oxirane
CID 157341670
2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane
CID 123583235
2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 142851433
2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
CID 13013247
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
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
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene
CID 126511463
2-[3-(4-propylphenyl)propoxymethyl]oxirane
CID 160627488
1-(3-chloropropoxy)-4-(2-methoxyethyl)-2-methylbenzene
CID 155000329
2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane
CID 23143354
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 90250195

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane (CID 170966113) is 2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane is Cc1cc(CCOCC2CO2)ccc1OCC1CO1.
What is the InChIKey of 2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane?
The InChIKey is QYWGQHOQUDYLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11-6-12(4-5-16-7-13-8-17-13)2-3-15(11)19-10-14-9-18-14/h2-3,6,13-14H,4-5,7-10H2,1H3.
What are the key properties of 2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane?
2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane has a molecular weight of 264.32 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 170966113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).