4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol

C10H11NO2 — CID 135473437

IUPAC4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol
SMILESCC(/C=C/c1ccc(O)cc1)=N/O
InChIInChI=1S/C10H11NO2/c1-8(11-13)2-3-9-4-6-10(12)7-5-9/h2-7,12-13H,1H3/b3-2+,11-8-
InChIKeyAOIRAUWUJSIHDZ-HKBOBWAKSA-N
MW177.20 g/mol
LogP2.26
Rot. Bonds2

About 4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol

4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol (PubChem CID 135473437) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol
PubChem CID135473437
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol
SMILESCC(/C=C/c1ccc(O)cc1)=N/O
InChIInChI=1S/C10H11NO2/c1-8(11-13)2-3-9-4-6-10(12)7-5-9/h2-7,12-13H,1H3/b3-2+,11-8-
InChIKeyAOIRAUWUJSIHDZ-HKBOBWAKSA-N
XLogP2.26
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.26
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 4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol?
The IUPAC name of 4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol (CID 135473437) is 4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol.
What is the SMILES notation for 4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol?
The canonical SMILES for 4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol is CC(/C=C/c1ccc(O)cc1)=N/O.
What is the InChIKey of 4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol?
The InChIKey is AOIRAUWUJSIHDZ-HKBOBWAKSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8(11-13)2-3-9-4-6-10(12)7-5-9/h2-7,12-13H,1H3/b3-2+,11-8-.
What are the key properties of 4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol?
4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol has a molecular weight of 177.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E,3Z)-3-hydroxyiminobut-1-enyl]phenol is sourced from PubChem (CID 135473437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).