2-(4-hydroxyphenoxy)acetic acid

C8H8O4 — CID 15881

IUPAC2-(4-hydroxyphenoxy)acetic acid
SMILESO=C(O)COc1ccc(O)cc1
InChIInChI=1S/C8H8O4/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKeyPKGWLCZTTHWKIZ-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.86
Rot. Bonds3

About 2-(4-hydroxyphenoxy)acetic acid

2-(4-hydroxyphenoxy)acetic acid (PubChem CID 15881) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)acetic acid
PubChem CID15881
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name2-(4-hydroxyphenoxy)acetic acid
SMILESO=C(O)COc1ccc(O)cc1
InChIInChI=1S/C8H8O4/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKeyPKGWLCZTTHWKIZ-UHFFFAOYSA-N
XLogP0.86
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)acetic acid?
The IUPAC name of 2-(4-hydroxyphenoxy)acetic acid (CID 15881) is 2-(4-hydroxyphenoxy)acetic acid.
What is the SMILES notation for 2-(4-hydroxyphenoxy)acetic acid?
The canonical SMILES for 2-(4-hydroxyphenoxy)acetic acid is O=C(O)COc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenoxy)acetic acid?
The InChIKey is PKGWLCZTTHWKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11).
What are the key properties of 2-(4-hydroxyphenoxy)acetic acid?
2-(4-hydroxyphenoxy)acetic acid has a molecular weight of 168.15 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)acetic acid is sourced from PubChem (CID 15881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).