2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol

C9H11NO3 — CID 135832909

IUPAC2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
SMILESCCOc1cc(/C=N\O)ccc1O
InChIInChI=1S/C9H11NO3/c1-2-13-9-5-7(6-10-12)3-4-8(9)11/h3-6,11-12H,2H2,1H3/b10-6-
InChIKeyAZAMLLOELYKGDG-POHAHGRESA-N
MW181.19 g/mol
LogP1.60
Rot. Bonds3

About 2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol

2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol (PubChem CID 135832909) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
PubChem CID135832909
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
SMILESCCOc1cc(/C=N\O)ccc1O
InChIInChI=1S/C9H11NO3/c1-2-13-9-5-7(6-10-12)3-4-8(9)11/h3-6,11-12H,2H2,1H3/b10-6-
InChIKeyAZAMLLOELYKGDG-POHAHGRESA-N
XLogP1.60
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
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'}

Analyze 2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol
CID 135722054
4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136928188
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135675775
2-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenol
CID 135745745
[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
CID 135555015
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
4-(2,2-dichloroethenyl)-2-ethoxyphenol
CID 87569986
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
CID 1223156
4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol
CID 135675850
2-ethoxy-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 4012909

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol?
The IUPAC name of 2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol (CID 135832909) is 2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol is CCOc1cc(/C=N\O)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol?
The InChIKey is AZAMLLOELYKGDG-POHAHGRESA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-13-9-5-7(6-10-12)3-4-8(9)11/h3-6,11-12H,2H2,1H3/b10-6-.
What are the key properties of 2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol?
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol has a molecular weight of 181.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135832909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).