2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol

C11H15NO4 — CID 24704343

IUPAC2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
SMILESCOc1cc(/C(C)=N/O)ccc1OCCO
InChIInChI=1S/C11H15NO4/c1-8(12-14)9-3-4-10(16-6-5-13)11(7-9)15-2/h3-4,7,13-14H,5-6H2,1-2H3/b12-8+
InChIKeyLEKXTLPEHFDEQL-XYOKQWHBSA-N
MW225.24 g/mol
LogP1.26
Rot. Bonds5

About 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol

2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol (PubChem CID 24704343) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
PubChem CID24704343
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
SMILESCOc1cc(/C(C)=N/O)ccc1OCCO
InChIInChI=1S/C11H15NO4/c1-8(12-14)9-3-4-10(16-6-5-13)11(7-9)15-2/h3-4,7,13-14H,5-6H2,1-2H3/b12-8+
InChIKeyLEKXTLPEHFDEQL-XYOKQWHBSA-N
XLogP1.26
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol
CID 82077815
(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
CID 24711373
(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine
CID 109374373
4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355478
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide
CID 43330180
4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide
CID 76917538
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
2-[2-methoxy-4-(4-methoxyphenyl)phenoxy]ethanol
CID 145389562
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide
CID 76976993
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol?
The IUPAC name of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol (CID 24704343) is 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol.
What is the SMILES notation for 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol?
The canonical SMILES for 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol is COc1cc(/C(C)=N/O)ccc1OCCO.
What is the InChIKey of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol?
The InChIKey is LEKXTLPEHFDEQL-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO4/c1-8(12-14)9-3-4-10(16-6-5-13)11(7-9)15-2/h3-4,7,13-14H,5-6H2,1-2H3/b12-8+.
What are the key properties of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol?
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol has a molecular weight of 225.24 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol is sourced from PubChem (CID 24704343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).