2-[2-(2-aminophenoxy)phenyl]acetic acid

C14H13NO3 — CID 13409453

IUPAC2-[2-(2-aminophenoxy)phenyl]acetic acid
SMILESNc1ccccc1Oc1ccccc1CC(=O)O
InChIInChI=1S/C14H13NO3/c15-11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-14(16)17/h1-8H,9,15H2,(H,16,17)
InChIKeyRHGBZAQWYJFBET-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.69
Rot. Bonds4

About 2-[2-(2-aminophenoxy)phenyl]acetic acid

2-[2-(2-aminophenoxy)phenyl]acetic acid (PubChem CID 13409453) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[2-(2-aminophenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-aminophenoxy)phenyl]acetic acid
PubChem CID13409453
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[2-(2-aminophenoxy)phenyl]acetic acid
SMILESNc1ccccc1Oc1ccccc1CC(=O)O
InChIInChI=1S/C14H13NO3/c15-11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-14(16)17/h1-8H,9,15H2,(H,16,17)
InChIKeyRHGBZAQWYJFBET-UHFFFAOYSA-N
XLogP2.69
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid
CID 80742351
2-(2-pyrimidin-2-yloxyphenyl)acetic acid
CID 70166639
2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
CID 21113142
2-[2-(2,4-dibromophenoxy)phenyl]acetic acid
CID 15581881
2-aminophenol;2-(2-aminophenoxy)aniline
CID 174452334
2-[2-(3-hydroxypropoxy)phenyl]acetic acid
CID 80742548
3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid
CID 107713832
2-[2-[(3-methyl-4-pyridinyl)oxy]phenyl]acetic acid
CID 80742147
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460486

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-aminophenoxy)phenyl]acetic acid (CID 13409453) is 2-[2-(2-aminophenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-aminophenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-aminophenoxy)phenyl]acetic acid is Nc1ccccc1Oc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2-aminophenoxy)phenyl]acetic acid?
The InChIKey is RHGBZAQWYJFBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c15-11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-14(16)17/h1-8H,9,15H2,(H,16,17).
What are the key properties of 2-[2-(2-aminophenoxy)phenyl]acetic acid?
2-[2-(2-aminophenoxy)phenyl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenoxy)phenyl]acetic acid is sourced from PubChem (CID 13409453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).