3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid

C15H15NO4 — CID 107713832

IUPAC3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid
SMILESNc1cc(C(=O)O)ccc1Oc1ccccc1CCO
InChIInChI=1S/C15H15NO4/c16-12-9-11(15(18)19)5-6-14(12)20-13-4-2-1-3-10(13)7-8-17/h1-6,9,17H,7-8,16H2,(H,18,19)
InChIKeyGCSFISNEVLSJQV-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid

3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid (PubChem CID 107713832) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid
PubChem CID107713832
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid
SMILESNc1cc(C(=O)O)ccc1Oc1ccccc1CCO
InChIInChI=1S/C15H15NO4/c16-12-9-11(15(18)19)5-6-14(12)20-13-4-2-1-3-10(13)7-8-17/h1-6,9,17H,7-8,16H2,(H,18,19)
InChIKeyGCSFISNEVLSJQV-UHFFFAOYSA-N
XLogP2.29
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol
CID 70462198
3-amino-4-(2-tert-butylphenoxy)benzoic acid
CID 63423267
4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide
CID 107711871
methyl 3-amino-4-(2-ethylphenoxy)benzoate
CID 61306892
3-bromo-4-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 82801751
3-amino-4-(4-carboxyphenoxy)benzoic acid
CID 54426236
3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid
CID 107714150
2-[2-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107712058
4-(2-aminophenoxy)-3-methoxybenzoic acid
CID 69280746
3-amino-4-[(2-bromophenyl)methoxy]benzoic acid
CID 43379750
2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107711923
2-[2-(2-aminophenoxy)phenyl]acetic acid
CID 13409453

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid?
The IUPAC name of 3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid (CID 107713832) is 3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid.
What is the SMILES notation for 3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid?
The canonical SMILES for 3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid is Nc1cc(C(=O)O)ccc1Oc1ccccc1CCO.
What is the InChIKey of 3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid?
The InChIKey is GCSFISNEVLSJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c16-12-9-11(15(18)19)5-6-14(12)20-13-4-2-1-3-10(13)7-8-17/h1-6,9,17H,7-8,16H2,(H,18,19).
What are the key properties of 3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid?
3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid is sourced from PubChem (CID 107713832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).