2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid

C17H20N2O5 — CID 169385803

IUPAC2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
SMILESCOc1cc(CNNc2ccccc2)cc(OC)c1OCC(=O)O
InChIInChI=1S/C17H20N2O5/c1-22-14-8-12(10-18-19-13-6-4-3-5-7-13)9-15(23-2)17(14)24-11-16(20)21/h3-9,18-19H,10-11H2,1-2H3,(H,20,21)
InChIKeyDWAVPTQJZBKMMF-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.28
Rot. Bonds9

About 2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid

2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid (PubChem CID 169385803) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
PubChem CID169385803
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
SMILESCOc1cc(CNNc2ccccc2)cc(OC)c1OCC(=O)O
InChIInChI=1S/C17H20N2O5/c1-22-14-8-12(10-18-19-13-6-4-3-5-7-13)9-15(23-2)17(14)24-11-16(20)21/h3-9,18-19H,10-11H2,1-2H3,(H,20,21)
InChIKeyDWAVPTQJZBKMMF-UHFFFAOYSA-N
XLogP2.28
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide
CID 169386318
[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenyl] benzoate
CID 169386305
1-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386843
methyl 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate
CID 169386451
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386308
2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol
CID 169384588
methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate
CID 169386452
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
N-(2-anilino-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55836388
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
2-[2-chloro-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 126270328

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid (CID 169385803) is 2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid is COc1cc(CNNc2ccccc2)cc(OC)c1OCC(=O)O.
What is the InChIKey of 2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid?
The InChIKey is DWAVPTQJZBKMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-22-14-8-12(10-18-19-13-6-4-3-5-7-13)9-15(23-2)17(14)24-11-16(20)21/h3-9,18-19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid?
2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid is sourced from PubChem (CID 169385803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).