2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane

C20H22O5 — CID 19964422

IUPAC2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane
SMILESCOc1ccc(Oc2ccc(OC)cc2CC2CO2)c(CC2CO2)c1
InChIInChI=1S/C20H22O5/c1-21-15-3-5-19(13(7-15)9-17-11-23-17)25-20-6-4-16(22-2)8-14(20)10-18-12-24-18/h3-8,17-18H,9-12H2,1-2H3
InChIKeySPMYYWZTCLZLQV-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.38
Rot. Bonds8

About 2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane

2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane (PubChem CID 19964422) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane
PubChem CID19964422
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane
SMILESCOc1ccc(Oc2ccc(OC)cc2CC2CO2)c(CC2CO2)c1
InChIInChI=1S/C20H22O5/c1-21-15-3-5-19(13(7-15)9-17-11-23-17)25-20-6-4-16(22-2)8-14(20)10-18-12-24-18/h3-8,17-18H,9-12H2,1-2H3
InChIKeySPMYYWZTCLZLQV-UHFFFAOYSA-N
XLogP3.38
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane?
The IUPAC name of 2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane (CID 19964422) is 2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane?
The canonical SMILES for 2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane is COc1ccc(Oc2ccc(OC)cc2CC2CO2)c(CC2CO2)c1.
What is the InChIKey of 2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane?
The InChIKey is SPMYYWZTCLZLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-21-15-3-5-19(13(7-15)9-17-11-23-17)25-20-6-4-16(22-2)8-14(20)10-18-12-24-18/h3-8,17-18H,9-12H2,1-2H3.
What are the key properties of 2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane?
2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane has a molecular weight of 342.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methoxy-2-[4-methoxy-2-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane is sourced from PubChem (CID 19964422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).