2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid

C17H18N2O4 — CID 29148193

IUPAC2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1ccccc1CN/N=C\c1cccc(OCC(=O)O)c1
InChIInChI=1S/C17H18N2O4/c1-22-16-8-3-2-6-14(16)11-19-18-10-13-5-4-7-15(9-13)23-12-17(20)21/h2-10,19H,11-12H2,1H3,(H,20,21)/b18-10-
InChIKeyVJPQMNUPZQEQQR-ZDLGFXPLSA-N
MW314.34 g/mol
LogP2.28
Rot. Bonds8

About 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid

2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 29148193) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID29148193
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1ccccc1CN/N=C\c1cccc(OCC(=O)O)c1
InChIInChI=1S/C17H18N2O4/c1-22-16-8-3-2-6-14(16)11-19-18-10-13-5-4-7-15(9-13)23-12-17(20)21/h2-10,19H,11-12H2,1H3,(H,20,21)/b18-10-
InChIKeyVJPQMNUPZQEQQR-ZDLGFXPLSA-N
XLogP2.28
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 ≤ 52.28
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

2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
CID 17245995
1-(2-methoxyphenyl)-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]methanamine
CID 29147895
2-[2-ethoxy-6-iodo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
CID 29148441
N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245736
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147718
4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 17245951
2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 6310576
2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126329068
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147564
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245582
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147432
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147731

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid (CID 29148193) is 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid is COc1ccccc1CN/N=C\c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is VJPQMNUPZQEQQR-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-16-8-3-2-6-14(16)11-19-18-10-13-5-4-7-15(9-13)23-12-17(20)21/h2-10,19H,11-12H2,1H3,(H,20,21)/b18-10-.
What are the key properties of 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid?
2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 314.34 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 29148193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).