2-(4-chlorophenoxy)-2-phenylacetic acid

C14H11ClO3 — CID 3082950

IUPAC2-(4-chlorophenoxy)-2-phenylacetic acid
SMILESO=C(O)C(Oc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClO3/c15-11-6-8-12(9-7-11)18-13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKeyNGUVKIVGNXLBQE-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-chlorophenoxy)-2-phenylacetic acid

2-(4-chlorophenoxy)-2-phenylacetic acid (PubChem CID 3082950) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-phenylacetic acid
PubChem CID3082950
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name2-(4-chlorophenoxy)-2-phenylacetic acid
SMILESO=C(O)C(Oc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClO3/c15-11-6-8-12(9-7-11)18-13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKeyNGUVKIVGNXLBQE-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-phenylacetic acid?
The IUPAC name of 2-(4-chlorophenoxy)-2-phenylacetic acid (CID 3082950) is 2-(4-chlorophenoxy)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-phenylacetic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-2-phenylacetic acid is O=C(O)C(Oc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-phenylacetic acid?
The InChIKey is NGUVKIVGNXLBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c15-11-6-8-12(9-7-11)18-13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17).
What are the key properties of 2-(4-chlorophenoxy)-2-phenylacetic acid?
2-(4-chlorophenoxy)-2-phenylacetic acid has a molecular weight of 262.69 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-phenylacetic acid is sourced from PubChem (CID 3082950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).