2-(4-cyano-2-phenylphenoxy)acetic acid

C15H11NO3 — CID 11482181

IUPAC2-(4-cyano-2-phenylphenoxy)acetic acid
SMILESN#Cc1ccc(OCC(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C15H11NO3/c16-9-11-6-7-14(19-10-15(17)18)13(8-11)12-4-2-1-3-5-12/h1-8H,10H2,(H,17,18)
InChIKeyHLHVPJVNRURVNK-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-cyano-2-phenylphenoxy)acetic acid

2-(4-cyano-2-phenylphenoxy)acetic acid (PubChem CID 11482181) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-cyano-2-phenylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-cyano-2-phenylphenoxy)acetic acid
PubChem CID11482181
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(4-cyano-2-phenylphenoxy)acetic acid
SMILESN#Cc1ccc(OCC(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C15H11NO3/c16-9-11-6-7-14(19-10-15(17)18)13(8-11)12-4-2-1-3-5-12/h1-8H,10H2,(H,17,18)
InChIKeyHLHVPJVNRURVNK-UHFFFAOYSA-N
XLogP2.69
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-phenylphenoxy)acetic acid?
The IUPAC name of 2-(4-cyano-2-phenylphenoxy)acetic acid (CID 11482181) is 2-(4-cyano-2-phenylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-cyano-2-phenylphenoxy)acetic acid?
The canonical SMILES for 2-(4-cyano-2-phenylphenoxy)acetic acid is N#Cc1ccc(OCC(=O)O)c(-c2ccccc2)c1.
What is the InChIKey of 2-(4-cyano-2-phenylphenoxy)acetic acid?
The InChIKey is HLHVPJVNRURVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c16-9-11-6-7-14(19-10-15(17)18)13(8-11)12-4-2-1-3-5-12/h1-8H,10H2,(H,17,18).
What are the key properties of 2-(4-cyano-2-phenylphenoxy)acetic acid?
2-(4-cyano-2-phenylphenoxy)acetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-phenylphenoxy)acetic acid is sourced from PubChem (CID 11482181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).