2-(4-phenoxyphenoxy)acetic acid

C14H12O4 — CID 2369459

IUPAC2-(4-phenoxyphenoxy)acetic acid
SMILESO=C(O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H12O4/c15-14(16)10-17-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKeyNUTWPVOGVQFHTI-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-phenoxyphenoxy)acetic acid

2-(4-phenoxyphenoxy)acetic acid (PubChem CID 2369459) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)acetic acid
PubChem CID2369459
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-(4-phenoxyphenoxy)acetic acid
SMILESO=C(O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H12O4/c15-14(16)10-17-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKeyNUTWPVOGVQFHTI-UHFFFAOYSA-N
XLogP2.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)acetic acid?
The IUPAC name of 2-(4-phenoxyphenoxy)acetic acid (CID 2369459) is 2-(4-phenoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(4-phenoxyphenoxy)acetic acid?
The canonical SMILES for 2-(4-phenoxyphenoxy)acetic acid is O=C(O)COc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenoxy)acetic acid?
The InChIKey is NUTWPVOGVQFHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-14(16)10-17-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16).
What are the key properties of 2-(4-phenoxyphenoxy)acetic acid?
2-(4-phenoxyphenoxy)acetic acid has a molecular weight of 244.25 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)acetic acid is sourced from PubChem (CID 2369459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).