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

C14H17NO5 — CID 140971142

IUPAC2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
SMILESCON=C(C(=O)O)c1ccccc1OC1CCCCO1
InChIInChI=1S/C14H17NO5/c1-18-15-13(14(16)17)10-6-2-3-7-11(10)20-12-8-4-5-9-19-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyDMMJUQLEEYCAMR-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.03
Rot. Bonds5

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

2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid (PubChem CID 140971142) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
PubChem CID140971142
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
SMILESCON=C(C(=O)O)c1ccccc1OC1CCCCO1
InChIInChI=1S/C14H17NO5/c1-18-15-13(14(16)17)10-6-2-3-7-11(10)20-12-8-4-5-9-19-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyDMMJUQLEEYCAMR-UHFFFAOYSA-N
XLogP2.03
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140985567
(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
2-(2-ethoxyphenyl)-2-methoxyiminoacetic acid
CID 56981988
2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid
CID 173358306
2-(2-hydroxyphenyl)-2-methoxyiminoacetic acid
CID 135997752
2-(methoxyamino)-2-[2-(oxan-2-yloxy)phenyl]-N-oxoacetamide
CID 57244492
(2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid
CID 135604503
1-[2,5-bis(oxan-2-yloxy)phenyl]-3-phenylprop-2-en-1-one
CID 142670868
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
4-(oxan-2-yloxy)benzoic acid
CID 11183645

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid?
The IUPAC name of 2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid (CID 140971142) is 2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid.
What is the SMILES notation for 2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid?
The canonical SMILES for 2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid is CON=C(C(=O)O)c1ccccc1OC1CCCCO1.
What is the InChIKey of 2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid?
The InChIKey is DMMJUQLEEYCAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-18-15-13(14(16)17)10-6-2-3-7-11(10)20-12-8-4-5-9-19-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid?
2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid is sourced from PubChem (CID 140971142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).