2-[(2,5-dichlorophenyl)methoxyimino]acetic acid

C9H7Cl2NO3 — CID 54033648

IUPAC2-[(2,5-dichlorophenyl)methoxyimino]acetic acid
SMILESO=C(O)C=NOCc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NO3/c10-7-1-2-8(11)6(3-7)5-15-12-4-9(13)14/h1-4H,5H2,(H,13,14)
InChIKeyLHJPJJCMHRPNAB-UHFFFAOYSA-N
MW248.06 g/mol
LogP2.58
Rot. Bonds4

About 2-[(2,5-dichlorophenyl)methoxyimino]acetic acid

2-[(2,5-dichlorophenyl)methoxyimino]acetic acid (PubChem CID 54033648) has the molecular formula C9H7Cl2NO3 and a molecular weight of 248.06 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methoxyimino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methoxyimino]acetic acid
PubChem CID54033648
Molecular FormulaC9H7Cl2NO3
Molecular Weight248.06 g/mol
Exact Mass246.98
IUPAC Name2-[(2,5-dichlorophenyl)methoxyimino]acetic acid
SMILESO=C(O)C=NOCc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NO3/c10-7-1-2-8(11)6(3-7)5-15-12-4-9(13)14/h1-4H,5H2,(H,13,14)
InChIKeyLHJPJJCMHRPNAB-UHFFFAOYSA-N
XLogP2.58
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
(2,5-dichlorophenyl)methoxyazanium
CID 3797844
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 65317579
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106954818
(2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid
CID 176888578
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946
3-(2,5-dichlorophenyl)-1,1-dimethoxypropan-2-one
CID 79492729
(2Z)-2-[(2,4-dichlorophenyl)methoxyimino]-3-oxobutanoic acid
CID 88719702
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methoxyimino]acetic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)methoxyimino]acetic acid (CID 54033648) is 2-[(2,5-dichlorophenyl)methoxyimino]acetic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methoxyimino]acetic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methoxyimino]acetic acid is O=C(O)C=NOCc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methoxyimino]acetic acid?
The InChIKey is LHJPJJCMHRPNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO3/c10-7-1-2-8(11)6(3-7)5-15-12-4-9(13)14/h1-4H,5H2,(H,13,14).
What are the key properties of 2-[(2,5-dichlorophenyl)methoxyimino]acetic acid?
2-[(2,5-dichlorophenyl)methoxyimino]acetic acid has a molecular weight of 248.06 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methoxyimino]acetic acid is sourced from PubChem (CID 54033648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).