2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid

C17H18N2O4 — CID 169382456

IUPAC2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid
SMILESCCOc1cccc(C=NNc2ccccc2)c1OCC(=O)O
InChIInChI=1S/C17H18N2O4/c1-2-22-15-10-6-7-13(17(15)23-12-16(20)21)11-18-19-14-8-4-3-5-9-14/h3-11,19H,2,12H2,1H3,(H,20,21)
InChIKeyKRGWHRRKMDJJJF-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.99
Rot. Bonds8

About 2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid

2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid (PubChem CID 169382456) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid
PubChem CID169382456
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid
SMILESCCOc1cccc(C=NNc2ccccc2)c1OCC(=O)O
InChIInChI=1S/C17H18N2O4/c1-2-22-15-10-6-7-13(17(15)23-12-16(20)21)11-18-19-14-8-4-3-5-9-14/h3-11,19H,2,12H2,1H3,(H,20,21)
InChIKeyKRGWHRRKMDJJJF-UHFFFAOYSA-N
XLogP2.99
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
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

5-[(2E)-2-[[2-(carboxymethoxy)-3-ethoxyphenyl]methylidene]hydrazinyl]-2-chlorobenzoic acid
CID 126218575
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
2-[2-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 126207694
4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789686
2-[2-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 126220104
ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate
CID 169383267
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509051
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7992359
2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid
CID 169454343
4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline
CID 9015411

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid (CID 169382456) is 2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid is CCOc1cccc(C=NNc2ccccc2)c1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid?
The InChIKey is KRGWHRRKMDJJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-22-15-10-6-7-13(17(15)23-12-16(20)21)11-18-19-14-8-4-3-5-9-14/h3-11,19H,2,12H2,1H3,(H,20,21).
What are the key properties of 2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid?
2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid has a molecular weight of 314.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid is sourced from PubChem (CID 169382456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).