2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane

C20H22O4 — CID 164766765

IUPAC2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane
SMILESC=Cc1ccc(COCc2ccc(OCC3CO3)c(OC)c2)cc1
InChIInChI=1S/C20H22O4/c1-3-15-4-6-16(7-5-15)11-22-12-17-8-9-19(20(10-17)21-2)24-14-18-13-23-18/h3-10,18H,1,11-14H2,2H3
InChIKeyGXDURLFACZUAQT-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.83
Rot. Bonds9

About 2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane

2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane (PubChem CID 164766765) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane
PubChem CID164766765
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane
SMILESC=Cc1ccc(COCc2ccc(OCC3CO3)c(OC)c2)cc1
InChIInChI=1S/C20H22O4/c1-3-15-4-6-16(7-5-15)11-22-12-17-8-9-19(20(10-17)21-2)24-14-18-13-23-18/h3-10,18H,1,11-14H2,2H3
InChIKeyGXDURLFACZUAQT-UHFFFAOYSA-N
XLogP3.83
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
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

(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane
CID 97180114
2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 118245779
N-[2-ethyl-4-[[3-ethyl-4-[[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]methylideneamino]phenyl]methyl]phenyl]-1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]methanimine
CID 168831548
3,4-bis(oxiran-2-ylmethoxy)benzaldehyde
CID 175734853
2-[3-(4-ethenylphenyl)propoxymethyl]oxirane
CID 141222806
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
2-(methoxymethyl)oxirane;styrene
CID 174459106
2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
CID 22561280
bis(2-(methoxymethyl)oxirane);styrene
CID 174797956
2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,3-dioxolan-2-yl]methylsulfanyl]acetic acid
CID 67912851
5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 5252418
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane (CID 164766765) is 2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane is C=Cc1ccc(COCc2ccc(OCC3CO3)c(OC)c2)cc1.
What is the InChIKey of 2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane?
The InChIKey is GXDURLFACZUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-3-15-4-6-16(7-5-15)11-22-12-17-8-9-19(20(10-17)21-2)24-14-18-13-23-18/h3-10,18H,1,11-14H2,2H3.
What are the key properties of 2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane?
2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane has a molecular weight of 326.39 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane is sourced from PubChem (CID 164766765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).