2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid

C9H10ClNO4 — CID 18543387

IUPAC2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid
SMILESCOc1cc(OCC(=O)O)c(N)cc1Cl
InChIInChI=1S/C9H10ClNO4/c1-14-7-3-8(15-4-9(12)13)6(11)2-5(7)10/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyRZQKFCXBBWYWFE-UHFFFAOYSA-N
MW231.63 g/mol
LogP1.39
Rot. Bonds4

About 2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid

2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid (PubChem CID 18543387) has the molecular formula C9H10ClNO4 and a molecular weight of 231.63 g/mol. Its IUPAC name is 2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid
PubChem CID18543387
Molecular FormulaC9H10ClNO4
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Name2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid
SMILESCOc1cc(OCC(=O)O)c(N)cc1Cl
InChIInChI=1S/C9H10ClNO4/c1-14-7-3-8(15-4-9(12)13)6(11)2-5(7)10/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyRZQKFCXBBWYWFE-UHFFFAOYSA-N
XLogP1.39
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate
CID 89053253
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid
CID 97179048
2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid
CID 19575264
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
(2-amino-4-chloro-5-methoxyphenyl)methanol
CID 130139409
4-butoxy-5-chloro-2-methoxyaniline
CID 131848144
1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
CID 83987969
2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid
CID 139634524
4-(2-amino-4-chloro-5-methoxyphenoxy)-2-(4-amino-2-chloro-5-methoxyphenoxy)butane-1,3-diol
CID 70188652
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid?
The IUPAC name of 2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid (CID 18543387) is 2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid?
The canonical SMILES for 2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid is COc1cc(OCC(=O)O)c(N)cc1Cl.
What is the InChIKey of 2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid?
The InChIKey is RZQKFCXBBWYWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4/c1-14-7-3-8(15-4-9(12)13)6(11)2-5(7)10/h2-3H,4,11H2,1H3,(H,12,13).
What are the key properties of 2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid?
2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid has a molecular weight of 231.63 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid is sourced from PubChem (CID 18543387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).