2-(4-anilinophenoxy)propanoic acid

C15H15NO3 — CID 43519559

IUPAC2-(4-anilinophenoxy)propanoic acid
SMILESCC(Oc1ccc(Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C15H15NO3/c1-11(15(17)18)19-14-9-7-13(8-10-14)16-12-5-3-2-4-6-12/h2-11,16H,1H3,(H,17,18)
InChIKeyNNILPZGDTXXXCS-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.28
Rot. Bonds5

About 2-(4-anilinophenoxy)propanoic acid

2-(4-anilinophenoxy)propanoic acid (PubChem CID 43519559) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)propanoic acid.

Molecular Properties

Compound Name2-(4-anilinophenoxy)propanoic acid
PubChem CID43519559
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(4-anilinophenoxy)propanoic acid
SMILESCC(Oc1ccc(Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C15H15NO3/c1-11(15(17)18)19-14-9-7-13(8-10-14)16-12-5-3-2-4-6-12/h2-11,16H,1H3,(H,17,18)
InChIKeyNNILPZGDTXXXCS-UHFFFAOYSA-N
XLogP3.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxypropanoic acid;hydrofluoride
CID 161153787
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 124649475
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-[4-[(4-methylacridin-9-yl)amino]phenoxy]propanoic acid;hydrochloride
CID 90673846
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)propanoic acid?
The IUPAC name of 2-(4-anilinophenoxy)propanoic acid (CID 43519559) is 2-(4-anilinophenoxy)propanoic acid.
What is the SMILES notation for 2-(4-anilinophenoxy)propanoic acid?
The canonical SMILES for 2-(4-anilinophenoxy)propanoic acid is CC(Oc1ccc(Nc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-(4-anilinophenoxy)propanoic acid?
The InChIKey is NNILPZGDTXXXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11(15(17)18)19-14-9-7-13(8-10-14)16-12-5-3-2-4-6-12/h2-11,16H,1H3,(H,17,18).
What are the key properties of 2-(4-anilinophenoxy)propanoic acid?
2-(4-anilinophenoxy)propanoic acid has a molecular weight of 257.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)propanoic acid is sourced from PubChem (CID 43519559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).