[1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate

C14H16O3 — CID 169086617

IUPAC[1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(Cc1ccccc1)C1CO1
InChIInChI=1S/C14H16O3/c1-10(2)14(15)17-12(13-9-16-13)8-11-6-4-3-5-7-11/h3-7,12-13H,1,8-9H2,2H3
InChIKeySZZIXBORXMNXKP-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.12
Rot. Bonds5

About [1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate

[1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate (PubChem CID 169086617) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is [1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate
PubChem CID169086617
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name[1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(Cc1ccccc1)C1CO1
InChIInChI=1S/C14H16O3/c1-10(2)14(15)17-12(13-9-16-13)8-11-6-4-3-5-7-11/h3-7,12-13H,1,8-9H2,2H3
InChIKeySZZIXBORXMNXKP-UHFFFAOYSA-N
XLogP2.12
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate 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

1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
[3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate
CID 151009011
(3-chloro-3-methyl-1-phenylbutan-2-yl) 2-methylprop-2-enoate
CID 68660324
6-(2-methylprop-2-enoyloxy)-6-(oxiran-2-yl)hex-2-enoic acid
CID 87060204
1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate
CID 174346724
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
CID 87356118
oxiran-2-ylmethyl 2-methylprop-2-enoate;phenylmethanamine
CID 175327746
(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
CID 10487206
1-[(2S)-oxiran-2-yl]-2-phenylethanol
CID 54466399
benzyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 21188240
1-phenylmethoxybutyl 2-methylprop-2-enoate
CID 176719356
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656

Frequently Asked Questions

What is the IUPAC name of [1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate (CID 169086617) is [1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(Cc1ccccc1)C1CO1.
What is the InChIKey of [1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate?
The InChIKey is SZZIXBORXMNXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-10(2)14(15)17-12(13-9-16-13)8-11-6-4-3-5-7-11/h3-7,12-13H,1,8-9H2,2H3.
What are the key properties of [1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate?
[1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 169086617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).