2-[4-(hydroxymethyl)phenyl]acetic acid

C9H10O3 — CID 3283498

IUPAC2-[4-(hydroxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CO)cc1
InChIInChI=1S/C9H10O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKeyFWZBPBKAANKOJQ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.81
Rot. Bonds3

About 2-[4-(hydroxymethyl)phenyl]acetic acid

2-[4-(hydroxymethyl)phenyl]acetic acid (PubChem CID 3283498) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]acetic acid
PubChem CID3283498
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-[4-(hydroxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CO)cc1
InChIInChI=1S/C9H10O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKeyFWZBPBKAANKOJQ-UHFFFAOYSA-N
XLogP0.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]acetic acid (CID 3283498) is 2-[4-(hydroxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]acetic acid is O=C(O)Cc1ccc(CO)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]acetic acid?
The InChIKey is FWZBPBKAANKOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12).
What are the key properties of 2-[4-(hydroxymethyl)phenyl]acetic acid?
2-[4-(hydroxymethyl)phenyl]acetic acid has a molecular weight of 166.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]acetic acid is sourced from PubChem (CID 3283498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).