2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid

C16H14ClNO3 — CID 126224697

IUPAC2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid
SMILESCc1c(Cl)cccc1/N=C/c1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H14ClNO3/c1-11-14(17)6-3-7-15(11)18-9-12-4-2-5-13(8-12)21-10-16(19)20/h2-9H,10H2,1H3,(H,19,20)/b18-9+
InChIKeyVQNXCJHZQJEUNG-GIJQJNRQSA-N
MW303.75 g/mol
LogP3.86
Rot. Bonds5

About 2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid

2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid (PubChem CID 126224697) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid
PubChem CID126224697
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid
SMILESCc1c(Cl)cccc1/N=C/c1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H14ClNO3/c1-11-14(17)6-3-7-15(11)18-9-12-4-2-5-13(8-12)21-10-16(19)20/h2-9H,10H2,1H3,(H,19,20)/b18-9+
InChIKeyVQNXCJHZQJEUNG-GIJQJNRQSA-N
XLogP3.86
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-chloro-2-methylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]acetic acid
CID 126208645
N-(3-chloro-2-methylphenyl)-1-[3-[(3-fluorophenyl)methoxy]phenyl]methanimine
CID 126219221
2-[3-[(3,4-dimethylphenyl)iminomethyl]phenoxy]acetic acid
CID 126205614
2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126376137
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126217870
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126253048
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209712
2-[3-[(E)-[2-(2-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 9486202
2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid
CID 77013461
4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126207463
1-(3-ethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126208870
N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 693294

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid (CID 126224697) is 2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid is Cc1c(Cl)cccc1/N=C/c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid?
The InChIKey is VQNXCJHZQJEUNG-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11-14(17)6-3-7-15(11)18-9-12-4-2-5-13(8-12)21-10-16(19)20/h2-9H,10H2,1H3,(H,19,20)/b18-9+.
What are the key properties of 2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid?
2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid has a molecular weight of 303.75 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid is sourced from PubChem (CID 126224697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).