(2E)-2-hydroxyimino-1,2-diphenylethanol

C14H13NO2 — CID 5354084

IUPAC(2E)-2-hydroxyimino-1,2-diphenylethanol
SMILESO/N=C(\c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,14,16-17H/b15-13+
InChIKeyWAKHLWOJMHVUJC-FYWRMAATSA-N
MW227.26 g/mol
LogP2.60
Rot. Bonds3

About (2E)-2-hydroxyimino-1,2-diphenylethanol

(2E)-2-hydroxyimino-1,2-diphenylethanol (PubChem CID 5354084) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-1,2-diphenylethanol.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-1,2-diphenylethanol
PubChem CID5354084
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(2E)-2-hydroxyimino-1,2-diphenylethanol
SMILESO/N=C(\c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,14,16-17H/b15-13+
InChIKeyWAKHLWOJMHVUJC-FYWRMAATSA-N
XLogP2.60
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-1,2-diphenylethanol?
The IUPAC name of (2E)-2-hydroxyimino-1,2-diphenylethanol (CID 5354084) is (2E)-2-hydroxyimino-1,2-diphenylethanol.
What is the SMILES notation for (2E)-2-hydroxyimino-1,2-diphenylethanol?
The canonical SMILES for (2E)-2-hydroxyimino-1,2-diphenylethanol is O/N=C(\c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of (2E)-2-hydroxyimino-1,2-diphenylethanol?
The InChIKey is WAKHLWOJMHVUJC-FYWRMAATSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,14,16-17H/b15-13+.
What are the key properties of (2E)-2-hydroxyimino-1,2-diphenylethanol?
(2E)-2-hydroxyimino-1,2-diphenylethanol has a molecular weight of 227.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-1,2-diphenylethanol is sourced from PubChem (CID 5354084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).