2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid

C15H12Cl2N2O3 — CID 8981080

IUPAC2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N\Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-11-5-6-13(12(17)7-11)19-18-8-10-3-1-2-4-14(10)22-9-15(20)21/h1-8,19H,9H2,(H,20,21)/b18-8-
InChIKeyFTUSNZVNHOJLBL-LSCVHKIXSA-N
MW339.18 g/mol
LogP3.90
Rot. Bonds6

About 2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 8981080) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID8981080
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N\Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-11-5-6-13(12(17)7-11)19-18-8-10-3-1-2-4-14(10)22-9-15(20)21/h1-8,19H,9H2,(H,20,21)/b18-8-
InChIKeyFTUSNZVNHOJLBL-LSCVHKIXSA-N
XLogP3.90
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6112463
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258874
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]-4-chlorophenoxy]acetic acid
CID 8989647
N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126173978
N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 5230712
N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 126268961
2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6910990
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 684020
2-[2-[[3-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
CID 1347025
2-[2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 41168478
2-[2-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 135619124

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 8981080) is 2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=N\Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is FTUSNZVNHOJLBL-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-11-5-6-13(12(17)7-11)19-18-8-10-3-1-2-4-14(10)22-9-15(20)21/h1-8,19H,9H2,(H,20,21)/b18-8-.
What are the key properties of 2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 339.18 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 8981080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).