2-(4-phenylmethoxyphenoxy)acetic acid

C15H14O4 — CID 563696

IUPAC2-(4-phenylmethoxyphenoxy)acetic acid
SMILESO=C(O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H14O4/c16-15(17)11-19-14-8-6-13(7-9-14)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)
InChIKeyVXMSXBVTUNOSLL-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.73
Rot. Bonds6

About 2-(4-phenylmethoxyphenoxy)acetic acid

2-(4-phenylmethoxyphenoxy)acetic acid (PubChem CID 563696) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenoxy)acetic acid
PubChem CID563696
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-(4-phenylmethoxyphenoxy)acetic acid
SMILESO=C(O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H14O4/c16-15(17)11-19-14-8-6-13(7-9-14)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)
InChIKeyVXMSXBVTUNOSLL-UHFFFAOYSA-N
XLogP2.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenoxy)acetic acid?
The IUPAC name of 2-(4-phenylmethoxyphenoxy)acetic acid (CID 563696) is 2-(4-phenylmethoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(4-phenylmethoxyphenoxy)acetic acid?
The canonical SMILES for 2-(4-phenylmethoxyphenoxy)acetic acid is O=C(O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenoxy)acetic acid?
The InChIKey is VXMSXBVTUNOSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-15(17)11-19-14-8-6-13(7-9-14)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17).
What are the key properties of 2-(4-phenylmethoxyphenoxy)acetic acid?
2-(4-phenylmethoxyphenoxy)acetic acid has a molecular weight of 258.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenoxy)acetic acid is sourced from PubChem (CID 563696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).