N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide

C15H15NO3 — CID 163182445

IUPACN-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide
SMILES[O-][NH+](O)C=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H15NO3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-11,16-17H,12H2
InChIKeyZQHIFPOHRJMEAR-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.01
Rot. Bonds5

About N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide

N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide (PubChem CID 163182445) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide.

Molecular Properties

Compound NameN-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide
PubChem CID163182445
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide
SMILES[O-][NH+](O)C=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H15NO3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-11,16-17H,12H2
InChIKeyZQHIFPOHRJMEAR-UHFFFAOYSA-N
XLogP2.01
TPSA56.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 102534265
1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene
CID 24721025
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene
CID 57058324
S-[3-(3-phenylmethoxyphenyl)prop-2-enyl] ethanethioate
CID 169458192
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate
CID 170797112
(E)-1-(2-bromophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 6153182
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42201925
ethyl (2E)-2-[(3-phenylmethoxyphenyl)methylidene]butanoate
CID 59590524
(E)-3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 29018393

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide?
The IUPAC name of N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide (CID 163182445) is N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide.
What is the SMILES notation for N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide?
The canonical SMILES for N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide is [O-][NH+](O)C=Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide?
The InChIKey is ZQHIFPOHRJMEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-11,16-17H,12H2.
What are the key properties of N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide?
N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide has a molecular weight of 257.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide is sourced from PubChem (CID 163182445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).