3-[4-(hydroxymethyl)phenoxy]propanoic acid

C10H12O4 — CID 736304

IUPAC3-[4-(hydroxymethyl)phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(CO)cc1
InChIInChI=1S/C10H12O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-4,11H,5-7H2,(H,12,13)
InChIKeyWPWKJUVXEMKOHS-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.03
Rot. Bonds5

About 3-[4-(hydroxymethyl)phenoxy]propanoic acid

3-[4-(hydroxymethyl)phenoxy]propanoic acid (PubChem CID 736304) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenoxy]propanoic acid
PubChem CID736304
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-[4-(hydroxymethyl)phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(CO)cc1
InChIInChI=1S/C10H12O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-4,11H,5-7H2,(H,12,13)
InChIKeyWPWKJUVXEMKOHS-UHFFFAOYSA-N
XLogP1.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenoxy]propanoic acid?
The IUPAC name of 3-[4-(hydroxymethyl)phenoxy]propanoic acid (CID 736304) is 3-[4-(hydroxymethyl)phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenoxy]propanoic acid?
The canonical SMILES for 3-[4-(hydroxymethyl)phenoxy]propanoic acid is O=C(O)CCOc1ccc(CO)cc1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenoxy]propanoic acid?
The InChIKey is WPWKJUVXEMKOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-4,11H,5-7H2,(H,12,13).
What are the key properties of 3-[4-(hydroxymethyl)phenoxy]propanoic acid?
3-[4-(hydroxymethyl)phenoxy]propanoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenoxy]propanoic acid is sourced from PubChem (CID 736304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).