5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid

C15H14ClNO4 — CID 107197815

IUPAC5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid
SMILESCCOc1cccc(Oc2c(Cl)cc(N)cc2C(=O)O)c1
InChIInChI=1S/C15H14ClNO4/c1-2-20-10-4-3-5-11(8-10)21-14-12(15(18)19)6-9(17)7-13(14)16/h3-8H,2,17H2,1H3,(H,18,19)
InChIKeyZFTJRNYPFFSJQL-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.81
Rot. Bonds5

About 5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid

5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid (PubChem CID 107197815) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid
PubChem CID107197815
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid
SMILESCCOc1cccc(Oc2c(Cl)cc(N)cc2C(=O)O)c1
InChIInChI=1S/C15H14ClNO4/c1-2-20-10-4-3-5-11(8-10)21-14-12(15(18)19)6-9(17)7-13(14)16/h3-8H,2,17H2,1H3,(H,18,19)
InChIKeyZFTJRNYPFFSJQL-UHFFFAOYSA-N
XLogP3.81
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(3-ethoxyphenoxy)benzoic acid
CID 62338276
5-amino-3-chloro-2-(4-methoxyphenoxy)benzoic acid
CID 107197281
2-amino-3-(3-ethoxyphenoxy)benzoic acid
CID 115547246
5-amino-3-chloro-2-(4-methylsulfanylphenoxy)benzoic acid
CID 107197883
5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid
CID 107197944
5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide
CID 107197786
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
3,5-diamino-2-ethoxybenzoic acid
CID 69167951
2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
5-amino-3-chloro-2-(2-chloro-4-methylphenoxy)benzoic acid
CID 107197838
5-amino-3-chloro-2-(2-methylsulfanylphenoxy)benzoic acid
CID 107197879
5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 114408919

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid (CID 107197815) is 5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid is CCOc1cccc(Oc2c(Cl)cc(N)cc2C(=O)O)c1.
What is the InChIKey of 5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid?
The InChIKey is ZFTJRNYPFFSJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-2-20-10-4-3-5-11(8-10)21-14-12(15(18)19)6-9(17)7-13(14)16/h3-8H,2,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid?
5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid has a molecular weight of 307.73 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid is sourced from PubChem (CID 107197815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).