N-(4-hydroxyphenyl)-1-phenylmethanimine oxide

C13H11NO2 — CID 88774477

IUPACN-(4-hydroxyphenyl)-1-phenylmethanimine oxide
SMILES[O-][N+](=Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C13H11NO2/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-10,15H
InChIKeyQAPFVEIMVHMNSL-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.65
Rot. Bonds2

About N-(4-hydroxyphenyl)-1-phenylmethanimine oxide

N-(4-hydroxyphenyl)-1-phenylmethanimine oxide (PubChem CID 88774477) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-phenylmethanimine oxide
PubChem CID88774477
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC NameN-(4-hydroxyphenyl)-1-phenylmethanimine oxide
SMILES[O-][N+](=Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C13H11NO2/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-10,15H
InChIKeyQAPFVEIMVHMNSL-UHFFFAOYSA-N
XLogP2.65
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 22807932
1-(4-carboxyphenyl)-N-phenylmethanimine oxide
CID 118506239
N-(4-fluorophenyl)-1-(4-phenylphenyl)methanimine oxide
CID 11833175
1-phenyl-N-(3,4,5-trimethylphenyl)methanimine oxide
CID 88774509
1-(3-cyanophenyl)-N-phenylmethanimine oxide
CID 125114778
N,1-bis(4-methylphenyl)methanimine oxide
CID 85439147
N-(3-chlorophenyl)-1-phenylmethanimine oxide
CID 12672716
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
N-phenyl-1-(3,4,5-trimethylphenyl)methanimine oxide
CID 88775473
N-(3-bromo-4-methoxyphenyl)-1-phenylmethanimine oxide
CID 58399528
N-[4-[2,6-dimethyl-3,5-bis(propan-2-yloxycarbonyl)-1,4-dihydropyridin-4-yl]phenyl]-1-phenylmethanimine oxide
CID 10648265

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-phenylmethanimine oxide?
The IUPAC name of N-(4-hydroxyphenyl)-1-phenylmethanimine oxide (CID 88774477) is N-(4-hydroxyphenyl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-phenylmethanimine oxide is [O-][N+](=Cc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-phenylmethanimine oxide?
The InChIKey is QAPFVEIMVHMNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-10,15H.
What are the key properties of N-(4-hydroxyphenyl)-1-phenylmethanimine oxide?
N-(4-hydroxyphenyl)-1-phenylmethanimine oxide has a molecular weight of 213.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-phenylmethanimine oxide is sourced from PubChem (CID 88774477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).