(2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid

C17H25NO4 — CID 19969078

IUPAC(2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid
SMILESCCCCCCCCOc1ccc(/C(=N/OC)C(=O)O)cc1
InChIInChI=1S/C17H25NO4/c1-3-4-5-6-7-8-13-22-15-11-9-14(10-12-15)16(17(19)20)18-21-2/h9-12H,3-8,13H2,1-2H3,(H,19,20)/b18-16-
InChIKeyLCVAXLVRCOAWPP-VLGSPTGOSA-N
MW307.39 g/mol
LogP3.86
Rot. Bonds11

About (2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid

(2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid (PubChem CID 19969078) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid
PubChem CID19969078
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid
SMILESCCCCCCCCOc1ccc(/C(=N/OC)C(=O)O)cc1
InChIInChI=1S/C17H25NO4/c1-3-4-5-6-7-8-13-22-15-11-9-14(10-12-15)16(17(19)20)18-21-2/h9-12H,3-8,13H2,1-2H3,(H,19,20)/b18-16-
InChIKeyLCVAXLVRCOAWPP-VLGSPTGOSA-N
XLogP3.86
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 144740890
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CID 54321336
4-hexadecoxybenzenecarbothioic S-acid
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4-octoxybenzenecarbothioic S-acid
CID 54199647
(4-hexoxybenzoyl) 4-hexoxybenzoate
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3-(4-hexoxyphenyl)-3-oxopropanoic acid
CID 170886905
1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine
CID 72609352
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
[4-(4-octoxybenzoyl)oxyphenyl] 4-pentoxybenzoate
CID 100939275
(4-decoxyphenyl) 4-[7-[4-(4-decoxyphenoxy)carbonylphenoxy]heptoxy]benzoate
CID 102342037
[4-(4-undecoxybenzoyl)oxyphenyl] 4-undecoxybenzoate
CID 101367520

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid?
The IUPAC name of (2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid (CID 19969078) is (2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid.
What is the SMILES notation for (2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid?
The canonical SMILES for (2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid is CCCCCCCCOc1ccc(/C(=N/OC)C(=O)O)cc1.
What is the InChIKey of (2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid?
The InChIKey is LCVAXLVRCOAWPP-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H25NO4/c1-3-4-5-6-7-8-13-22-15-11-9-14(10-12-15)16(17(19)20)18-21-2/h9-12H,3-8,13H2,1-2H3,(H,19,20)/b18-16-.
What are the key properties of (2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid?
(2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid has a molecular weight of 307.39 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid is sourced from PubChem (CID 19969078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).