2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid

C10H11NO5 — CID 87800721

IUPAC2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
SMILESCOc1ccc(/C=N/O)cc1OCC(=O)O
InChIInChI=1S/C10H11NO5/c1-15-8-3-2-7(5-11-14)4-9(8)16-6-10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-5+
InChIKeyKEBQVNGUXMEZQO-VZUCSPMQSA-N
MW225.20 g/mol
LogP0.97
Rot. Bonds5

About 2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid

2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid (PubChem CID 87800721) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
PubChem CID87800721
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
SMILESCOc1ccc(/C=N/O)cc1OCC(=O)O
InChIInChI=1S/C10H11NO5/c1-15-8-3-2-7(5-11-14)4-9(8)16-6-10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-5+
InChIKeyKEBQVNGUXMEZQO-VZUCSPMQSA-N
XLogP0.97
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.97
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

(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
CID 1223156
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 803110
2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 133169157
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 20986617
5-[(E)-hydroxyiminomethyl]-2-methoxybenzoic acid
CID 126055980
N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
CID 57365590
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 8859274
N-[[3-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22685000

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid (CID 87800721) is 2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid is COc1ccc(/C=N/O)cc1OCC(=O)O.
What is the InChIKey of 2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid?
The InChIKey is KEBQVNGUXMEZQO-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H11NO5/c1-15-8-3-2-7(5-11-14)4-9(8)16-6-10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-5+.
What are the key properties of 2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid?
2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid has a molecular weight of 225.20 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid is sourced from PubChem (CID 87800721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).