(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane

C17H16O2 — CID 129392534

IUPAC(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane
SMILESC(=C/c1ccc(OC[C@H]2CO2)cc1)\c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)18-12-17-13-19-17/h1-11,17H,12-13H2/b7-6+/t17-/m0/s1
InChIKeyPEPWAEBXISDUBD-LXXRFIIISA-N
MW252.31 g/mol
LogP3.63
Rot. Bonds5

About (2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane

(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane (PubChem CID 129392534) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane
PubChem CID129392534
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane
SMILESC(=C/c1ccc(OC[C@H]2CO2)cc1)\c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)18-12-17-13-19-17/h1-11,17H,12-13H2/b7-6+/t17-/m0/s1
InChIKeyPEPWAEBXISDUBD-LXXRFIIISA-N
XLogP3.63
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[4-[2-[4-[2-[4-(oxiran-2-ylmethoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]methoxymethyl]oxirane
CID 72562916
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 155004813
2-[[3-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 131967080
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
but-1-ene;2-(phenoxymethyl)oxirane
CID 142029605
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
bis(1,4-diethylbenzene);tris(2-(phenoxymethyl)oxirane)
CID 158955106

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane (CID 129392534) is (2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane is C(=C/c1ccc(OC[C@H]2CO2)cc1)\c1ccccc1.
What is the InChIKey of (2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane?
The InChIKey is PEPWAEBXISDUBD-LXXRFIIISA-N. The full InChI is InChI=1S/C17H16O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)18-12-17-13-19-17/h1-11,17H,12-13H2/b7-6+/t17-/m0/s1.
What are the key properties of (2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane?
(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane has a molecular weight of 252.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 129392534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).