2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol

C19H21NO3 — CID 142000904

IUPAC2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol
SMILESOC(/C=N/C(Cc1ccccc1)C1CO1)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c21-19(23-13-16-9-5-2-6-10-16)12-20-17(18-14-22-18)11-15-7-3-1-4-8-15/h1-10,12,17-19,21H,11,13-14H2/b20-12+
InChIKeyNLNMIXYOJWHQEC-UDWIEESQSA-N
MW311.38 g/mol
LogP2.60
Rot. Bonds8

About 2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol

2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol (PubChem CID 142000904) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol.

Molecular Properties

Compound Name2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol
PubChem CID142000904
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol
SMILESOC(/C=N/C(Cc1ccccc1)C1CO1)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c21-19(23-13-16-9-5-2-6-10-16)12-20-17(18-14-22-18)11-15-7-3-1-4-8-15/h1-10,12,17-19,21H,11,13-14H2/b20-12+
InChIKeyNLNMIXYOJWHQEC-UDWIEESQSA-N
XLogP2.60
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-[1-(oxiran-2-yl)-2-phenylethyl]iminoacetate
CID 142103491
(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane
CID 11313389
1-[(2S)-oxiran-2-yl]-2-phenylethanol
CID 54466399
2-[(1R)-1-phenylmethoxyethyl]oxirane
CID 88860566
2-(2-bromo-1-phenylmethoxyethyl)oxirane
CID 562170
(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol
CID 57302482
(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 25208780
(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
CID 10487206
(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethanamine
CID 23382360
(4R)-2,2-dimethyl-4-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]-1,3-dioxolane
CID 102375766
(S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol
CID 11172882
(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11275756

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol?
The IUPAC name of 2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol (CID 142000904) is 2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol.
What is the SMILES notation for 2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol?
The canonical SMILES for 2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol is OC(/C=N/C(Cc1ccccc1)C1CO1)OCc1ccccc1.
What is the InChIKey of 2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol?
The InChIKey is NLNMIXYOJWHQEC-UDWIEESQSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(23-13-16-9-5-2-6-10-16)12-20-17(18-14-22-18)11-15-7-3-1-4-8-15/h1-10,12,17-19,21H,11,13-14H2/b20-12+.
What are the key properties of 2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol?
2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol has a molecular weight of 311.38 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol is sourced from PubChem (CID 142000904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).