4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol

C10H13NO3 — CID 11321502

IUPAC4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol
SMILESCOc1cc(C/C(C)=N/O)ccc1O
InChIInChI=1S/C10H13NO3/c1-7(11-13)5-8-3-4-9(12)10(6-8)14-2/h3-4,6,12-13H,5H2,1-2H3/b11-7+
InChIKeyWZJQWMGXLRZRCC-YRNVUSSQSA-N
MW195.22 g/mol
LogP1.79
Rot. Bonds3

About 4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol

4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol (PubChem CID 11321502) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol
PubChem CID11321502
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol
SMILESCOc1cc(C/C(C)=N/O)ccc1O
InChIInChI=1S/C10H13NO3/c1-7(11-13)5-8-3-4-9(12)10(6-8)14-2/h3-4,6,12-13H,5H2,1-2H3/b11-7+
InChIKeyWZJQWMGXLRZRCC-YRNVUSSQSA-N
XLogP1.79
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.79
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'}

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 121224875
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone
CID 42605359
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol?
The IUPAC name of 4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol (CID 11321502) is 4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol?
The canonical SMILES for 4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol is COc1cc(C/C(C)=N/O)ccc1O.
What is the InChIKey of 4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol?
The InChIKey is WZJQWMGXLRZRCC-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(11-13)5-8-3-4-9(12)10(6-8)14-2/h3-4,6,12-13H,5H2,1-2H3/b11-7+.
What are the key properties of 4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol?
4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol has a molecular weight of 195.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol is sourced from PubChem (CID 11321502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).