2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid

C13H15NO5 — CID 140985567

IUPAC2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
SMILESO=C(O)C(=NO)c1ccccc1OC1CCCCO1
InChIInChI=1S/C13H15NO5/c15-13(16)12(14-17)9-5-1-2-6-10(9)19-11-7-3-4-8-18-11/h1-2,5-6,11,17H,3-4,7-8H2,(H,15,16)
InChIKeyMLHYOLMXBBPJJU-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.85
Rot. Bonds4

About 2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid

2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid (PubChem CID 140985567) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
PubChem CID140985567
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
SMILESO=C(O)C(=NO)c1ccccc1OC1CCCCO1
InChIInChI=1S/C13H15NO5/c15-13(16)12(14-17)9-5-1-2-6-10(9)19-11-7-3-4-8-18-11/h1-2,5-6,11,17H,3-4,7-8H2,(H,15,16)
InChIKeyMLHYOLMXBBPJJU-UHFFFAOYSA-N
XLogP1.85
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.85
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'}

Analyze 2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid 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

2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140971142
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
2-(oxetan-2-yloxy)benzamide
CID 172814860
methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate
CID 18328186
1-[2,5-bis(oxan-2-yloxy)phenyl]-3-phenylprop-2-en-1-one
CID 142670868
4-(oxan-2-yloxy)benzoic acid
CID 11183645
(2S)-2-(2-ethynylphenoxy)oxane
CID 86326828
3-[2-(oxan-2-yloxy)phenyl]benzamide
CID 139985534
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
2-(methoxyamino)-2-[2-(oxan-2-yloxy)phenyl]-N-oxoacetamide
CID 57244492
2-(2-ethenylphenoxy)oxecane
CID 139905565
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid?
The IUPAC name of 2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid (CID 140985567) is 2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid?
The canonical SMILES for 2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid is O=C(O)C(=NO)c1ccccc1OC1CCCCO1.
What is the InChIKey of 2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid?
The InChIKey is MLHYOLMXBBPJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-13(16)12(14-17)9-5-1-2-6-10(9)19-11-7-3-4-8-18-11/h1-2,5-6,11,17H,3-4,7-8H2,(H,15,16).
What are the key properties of 2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid?
2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid has a molecular weight of 265.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid is sourced from PubChem (CID 140985567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).