(2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile

C14H10N2O2 — CID 10933544

IUPAC(2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile
SMILESN#C/C(=N/O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C14H10N2O2/c15-10-13(16-17)12-8-4-5-9-14(12)18-11-6-2-1-3-7-11/h1-9,17H/b16-13-
InChIKeyUNJXBZJWPCAZDN-SSZFMOIBSA-N
MW238.25 g/mol
LogP3.18
Rot. Bonds3

About (2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile

(2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile (PubChem CID 10933544) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile
PubChem CID10933544
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name(2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile
SMILESN#C/C(=N/O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C14H10N2O2/c15-10-13(16-17)12-8-4-5-9-14(12)18-11-6-2-1-3-7-11/h1-9,17H/b16-13-
InChIKeyUNJXBZJWPCAZDN-SSZFMOIBSA-N
XLogP3.18
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
2-phenoxybenzoyl cyanide;toluene
CID 175229842
2,6-diphenoxybenzonitrile
CID 71353957
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
phenyl 2-phenoxybenzoate
CID 2471273
2-(4-phenoxyphenoxy)benzoate
CID 6946814
benzoic acid;2-phenoxybenzoic acid
CID 160712085
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
bis[(2-phenoxybenzoyl)diazenyl] carbonate
CID 68570773
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
1-(2-phenoxyphenyl)buta-1,3-dien-1-ol
CID 173462578
2-phenoxybenzoic acid;propan-2-ol
CID 159883753

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile?
The IUPAC name of (2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile (CID 10933544) is (2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile.
What is the SMILES notation for (2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile?
The canonical SMILES for (2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile is N#C/C(=N/O)c1ccccc1Oc1ccccc1.
What is the InChIKey of (2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile?
The InChIKey is UNJXBZJWPCAZDN-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-10-13(16-17)12-8-4-5-9-14(12)18-11-6-2-1-3-7-11/h1-9,17H/b16-13-.
What are the key properties of (2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile?
(2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile has a molecular weight of 238.25 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-2-(2-phenoxyphenyl)acetonitrile is sourced from PubChem (CID 10933544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).