2-[bis(4-methoxyphenyl)methoxymethyl]oxirane

C18H20O4 — CID 3854734

IUPAC2-[bis(4-methoxyphenyl)methoxymethyl]oxirane
SMILESCOc1ccc(C(OCC2CO2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O4/c1-19-15-7-3-13(4-8-15)18(22-12-17-11-21-17)14-5-9-16(20-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3
InChIKeyCZLZYQVLFWUWKL-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.21
Rot. Bonds7

About 2-[bis(4-methoxyphenyl)methoxymethyl]oxirane

2-[bis(4-methoxyphenyl)methoxymethyl]oxirane (PubChem CID 3854734) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[bis(4-methoxyphenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[bis(4-methoxyphenyl)methoxymethyl]oxirane
PubChem CID3854734
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-[bis(4-methoxyphenyl)methoxymethyl]oxirane
SMILESCOc1ccc(C(OCC2CO2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O4/c1-19-15-7-3-13(4-8-15)18(22-12-17-11-21-17)14-5-9-16(20-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3
InChIKeyCZLZYQVLFWUWKL-UHFFFAOYSA-N
XLogP3.21
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.21
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

Bisphenol A diglycidyl ether
CID 2286
Cresyl glycidyl ether
CID 16606
p-tert-Butylphenyl glycidyl ether
CID 18360
Bisphenol F diglycidyl ether
CID 91511
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
2-(((1,1'-Biphenyl)-2-yloxy)methyl)oxirane
CID 97875
Bisphenol A bis(2-hydroxyethyl)ether
CID 61909
4-Methoxydiphenylmethane
CID 13264
(+)-Eudesmin
CID 73117
2,2',2''-(Methanetriyltris(benzene-4,1-diyloxymethanediyl))trioxirane
CID 4320947
1,1'-Biphenyl, 4,4'-dimethoxy-
CID 16484
2,2-Bis(4-(2,3-dihydroxypropoxy)phenyl)propane
CID 110678

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methoxyphenyl)methoxymethyl]oxirane?
The IUPAC name of 2-[bis(4-methoxyphenyl)methoxymethyl]oxirane (CID 3854734) is 2-[bis(4-methoxyphenyl)methoxymethyl]oxirane.
What is the SMILES notation for 2-[bis(4-methoxyphenyl)methoxymethyl]oxirane?
The canonical SMILES for 2-[bis(4-methoxyphenyl)methoxymethyl]oxirane is COc1ccc(C(OCC2CO2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[bis(4-methoxyphenyl)methoxymethyl]oxirane?
The InChIKey is CZLZYQVLFWUWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-15-7-3-13(4-8-15)18(22-12-17-11-21-17)14-5-9-16(20-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3.
What are the key properties of 2-[bis(4-methoxyphenyl)methoxymethyl]oxirane?
2-[bis(4-methoxyphenyl)methoxymethyl]oxirane has a molecular weight of 300.35 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methoxyphenyl)methoxymethyl]oxirane is sourced from PubChem (CID 3854734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).