ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate

C17H19NO3 — CID 90477082

IUPACethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate
SMILES[H]/N=C(\OCC)C(O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-2-20-17(18)16(19)14-9-6-10-15(11-14)21-12-13-7-4-3-5-8-13/h3-11,16,18-19H,2,12H2,1H3/b18-17-
InChIKeyRITGMTAFWWZVFW-ZCXUNETKSA-N
MW285.34 g/mol
LogP3.31
Rot. Bonds6

About ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate

ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate (PubChem CID 90477082) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate
PubChem CID90477082
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate
SMILES[H]/N=C(\OCC)C(O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-2-20-17(18)16(19)14-9-6-10-15(11-14)21-12-13-7-4-3-5-8-13/h3-11,16,18-19H,2,12H2,1H3/b18-17-
InChIKeyRITGMTAFWWZVFW-ZCXUNETKSA-N
XLogP3.31
TPSA62.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
[(1S)-3-ethoxy-3-oxo-1-(3-phenylmethoxyphenyl)propyl]azanium
CID 7046970
1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene
CID 57058324
ethyl (3S)-3-amino-2,2-difluoro-3-(3-phenylmethoxyphenyl)propanoate
CID 171250199
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
CID 67882455
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate?
The IUPAC name of ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate (CID 90477082) is ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate.
What is the SMILES notation for ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate?
The canonical SMILES for ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate is [H]/N=C(\OCC)C(O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate?
The InChIKey is RITGMTAFWWZVFW-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-20-17(18)16(19)14-9-6-10-15(11-14)21-12-13-7-4-3-5-8-13/h3-11,16,18-19H,2,12H2,1H3/b18-17-.
What are the key properties of ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate?
ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate has a molecular weight of 285.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate is sourced from PubChem (CID 90477082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).