2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane

C14H18O2 — CID 101312440

IUPAC2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane
SMILESCC/C=C/Cc1ccccc1OCC1CO1
InChIInChI=1S/C14H18O2/c1-2-3-4-7-12-8-5-6-9-14(12)16-11-13-10-15-13/h3-6,8-9,13H,2,7,10-11H2,1H3/b4-3+
InChIKeyHNHFRTOWZVLBKI-ONEGZZNKSA-N
MW218.30 g/mol
LogP2.97
Rot. Bonds6

About 2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane

2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane (PubChem CID 101312440) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane
PubChem CID101312440
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane
SMILESCC/C=C/Cc1ccccc1OCC1CO1
InChIInChI=1S/C14H18O2/c1-2-3-4-7-12-8-5-6-9-14(12)16-11-13-10-15-13/h3-6,8-9,13H,2,7,10-11H2,1H3/b4-3+
InChIKeyHNHFRTOWZVLBKI-ONEGZZNKSA-N
XLogP2.97
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[2-[(E)-dodec-2-enyl]phenoxy]methyl]oxirane
CID 101312734
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[[2-[(E)-tridec-9-enyl]phenoxy]methyl]oxirane
CID 101312807
2-[[2-[(E)-octadec-12-enyl]phenoxy]methyl]oxirane
CID 101313228
2-[[2-[(E)-heptadec-11-enyl]phenoxy]methyl]oxirane
CID 101313131
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112
2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane
CID 151780237
N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 86612852
2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[2-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 161076249
2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane
CID 88608040
but-1-ene;2-(phenoxymethyl)oxirane
CID 142029605

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane (CID 101312440) is 2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane is CC/C=C/Cc1ccccc1OCC1CO1.
What is the InChIKey of 2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane?
The InChIKey is HNHFRTOWZVLBKI-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-3-4-7-12-8-5-6-9-14(12)16-11-13-10-15-13/h3-6,8-9,13H,2,7,10-11H2,1H3/b4-3+.
What are the key properties of 2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane?
2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane has a molecular weight of 218.30 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 101312440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).