2-(4-anilinophenoxy)acetic acid

C14H13NO3 — CID 2396472

IUPAC2-(4-anilinophenoxy)acetic acid
SMILESO=C(O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C14H13NO3/c16-14(17)10-18-13-8-6-12(7-9-13)15-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
InChIKeyVBJDXERSMNNCTA-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.89
Rot. Bonds5

About 2-(4-anilinophenoxy)acetic acid

2-(4-anilinophenoxy)acetic acid (PubChem CID 2396472) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-anilinophenoxy)acetic acid
PubChem CID2396472
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-(4-anilinophenoxy)acetic acid
SMILESO=C(O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C14H13NO3/c16-14(17)10-18-13-8-6-12(7-9-13)15-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
InChIKeyVBJDXERSMNNCTA-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)acetic acid?
The IUPAC name of 2-(4-anilinophenoxy)acetic acid (CID 2396472) is 2-(4-anilinophenoxy)acetic acid.
What is the SMILES notation for 2-(4-anilinophenoxy)acetic acid?
The canonical SMILES for 2-(4-anilinophenoxy)acetic acid is O=C(O)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-anilinophenoxy)acetic acid?
The InChIKey is VBJDXERSMNNCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(17)10-18-13-8-6-12(7-9-13)15-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17).
What are the key properties of 2-(4-anilinophenoxy)acetic acid?
2-(4-anilinophenoxy)acetic acid has a molecular weight of 243.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)acetic acid is sourced from PubChem (CID 2396472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).