2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol

C13H11NO3 — CID 135931726

IUPAC2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol
SMILESO/N=C/c1cc(-c2ccc(O)cc2)ccc1O
InChIInChI=1S/C13H11NO3/c15-12-4-1-9(2-5-12)10-3-6-13(16)11(7-10)8-14-17/h1-8,15-17H/b14-8+
InChIKeyINQGQXOIWVULMW-RIYZIHGNSA-N
MW229.24 g/mol
LogP2.57
Rot. Bonds2

About 2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol

2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol (PubChem CID 135931726) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol
PubChem CID135931726
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol
SMILESO/N=C/c1cc(-c2ccc(O)cc2)ccc1O
InChIInChI=1S/C13H11NO3/c15-12-4-1-9(2-5-12)10-3-6-13(16)11(7-10)8-14-17/h1-8,15-17H/b14-8+
InChIKeyINQGQXOIWVULMW-RIYZIHGNSA-N
XLogP2.57
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.57
H-Bond Donors ≤ 53
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

Honokiol
CID 72303
N,N'-Bis(salicylidene)ethylenediamine
CID 26518
N,N'-Bis(salicylidene)-1,3-propanediamine
CID 67125
Salicylaldoxime
CID 135408751
4-Hydroxybenzaldehyde oxime
CID 135408704
2-Chloro-3'-Fluoro-3-[(E)-(Hydroxyimino)methyl]biphenyl-4,4'-Diol
CID 135566811
4-(4-Hydroxyphenyl)-1-naphthaldehyde oxime
CID 135440536
N,N'-Bis(salicylidene)-1,4-butanediamine
CID 482317
Salicylaldazine
CID 135400567
(Z)-(4-hydroxyphenyl)acetaldehyde oxime
CID 5459810
2~3~-[(E)-(Hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-Terphenyl]-1~4~,2~4~,3~4~-Triol
CID 135567289
3-Methyl-[1,1'-biphenyl]-4-ol
CID 21726786

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol (CID 135931726) is 2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol is O/N=C/c1cc(-c2ccc(O)cc2)ccc1O.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol?
The InChIKey is INQGQXOIWVULMW-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12-4-1-9(2-5-12)10-3-6-13(16)11(7-10)8-14-17/h1-8,15-17H/b14-8+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol?
2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol has a molecular weight of 229.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 135931726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).