2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane

C24H26O3 — CID 23343467

IUPAC2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane
SMILESC=CCc1c(CC2CO2)cccc1Oc1cccc(CC2CO2)c1CC=C
InChIInChI=1S/C24H26O3/c1-3-7-21-17(13-19-15-25-19)9-5-11-23(21)27-24-12-6-10-18(14-20-16-26-20)22(24)8-4-2/h3-6,9-12,19-20H,1-2,7-8,13-16H2
InChIKeyOCSMXHAIJYVLNM-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.82
Rot. Bonds10

About 2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane

2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane (PubChem CID 23343467) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane
PubChem CID23343467
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane
SMILESC=CCc1c(CC2CO2)cccc1Oc1cccc(CC2CO2)c1CC=C
InChIInChI=1S/C24H26O3/c1-3-7-21-17(13-19-15-25-19)9-5-11-23(21)27-24-12-6-10-18(14-20-16-26-20)22(24)8-4-2/h3-6,9-12,19-20H,1-2,7-8,13-16H2
InChIKeyOCSMXHAIJYVLNM-UHFFFAOYSA-N
XLogP4.82
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(oxiran-2-ylmethyl)phenol
CID 19029836
azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 87240097
2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane
CID 177394932
methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 174690186
2-[(3-ethenyl-2-methylphenyl)methyl]oxirane
CID 22665284
2-[(2-prop-2-enylphenyl)methoxymethyl]oxirane
CID 135350457
2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol
CID 140959428
2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane
CID 91802357
2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol
CID 19736108
N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine
CID 118275272
bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite
CID 66971419
2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane
CID 175318150

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane?
The IUPAC name of 2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane (CID 23343467) is 2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane.
What is the SMILES notation for 2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane?
The canonical SMILES for 2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane is C=CCc1c(CC2CO2)cccc1Oc1cccc(CC2CO2)c1CC=C.
What is the InChIKey of 2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane?
The InChIKey is OCSMXHAIJYVLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-3-7-21-17(13-19-15-25-19)9-5-11-23(21)27-24-12-6-10-18(14-20-16-26-20)22(24)8-4-2/h3-6,9-12,19-20H,1-2,7-8,13-16H2.
What are the key properties of 2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane?
2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane has a molecular weight of 362.47 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane is sourced from PubChem (CID 23343467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).