2-[(E)-hydroxyiminomethyl]-5-phenylphenol

C13H11NO2 — CID 135620549

IUPAC2-[(E)-hydroxyiminomethyl]-5-phenylphenol
SMILESO/N=C/c1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C13H11NO2/c15-13-8-11(6-7-12(13)9-14-16)10-4-2-1-3-5-10/h1-9,15-16H/b14-9+
InChIKeySBEUKYMFCSJERH-NTEUORMPSA-N
MW213.24 g/mol
LogP2.87
Rot. Bonds2

About 2-[(E)-hydroxyiminomethyl]-5-phenylphenol

2-[(E)-hydroxyiminomethyl]-5-phenylphenol (PubChem CID 135620549) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-5-phenylphenol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-5-phenylphenol
PubChem CID135620549
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-[(E)-hydroxyiminomethyl]-5-phenylphenol
SMILESO/N=C/c1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C13H11NO2/c15-13-8-11(6-7-12(13)9-14-16)10-4-2-1-3-5-10/h1-9,15-16H/b14-9+
InChIKeySBEUKYMFCSJERH-NTEUORMPSA-N
XLogP2.87
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.87
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 2-[(E)-hydroxyiminomethyl]-5-phenylphenol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-5-phenylphenol (CID 135620549) is 2-[(E)-hydroxyiminomethyl]-5-phenylphenol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-5-phenylphenol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-5-phenylphenol is O/N=C/c1ccc(-c2ccccc2)cc1O.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-5-phenylphenol?
The InChIKey is SBEUKYMFCSJERH-NTEUORMPSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13-8-11(6-7-12(13)9-14-16)10-4-2-1-3-5-10/h1-9,15-16H/b14-9+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-5-phenylphenol?
2-[(E)-hydroxyiminomethyl]-5-phenylphenol has a molecular weight of 213.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-5-phenylphenol is sourced from PubChem (CID 135620549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).