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

C11H14O3 — CID 66588956

IUPAC2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(CO)cc1
InChIInChI=1S/C11H14O3/c1-11(2,10(13)14)9-5-3-8(7-12)4-6-9/h3-6,12H,7H2,1-2H3,(H,13,14)
InChIKeyGOEWQBZJCKRZSS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.54
Rot. Bonds3

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

2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid (PubChem CID 66588956) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid
PubChem CID66588956
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(CO)cc1
InChIInChI=1S/C11H14O3/c1-11(2,10(13)14)9-5-3-8(7-12)4-6-9/h3-6,12H,7H2,1-2H3,(H,13,14)
InChIKeyGOEWQBZJCKRZSS-UHFFFAOYSA-N
XLogP1.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.54
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]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid (CID 66588956) is 2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(CO)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid?
The InChIKey is GOEWQBZJCKRZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,10(13)14)9-5-3-8(7-12)4-6-9/h3-6,12H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid?
2-[4-(hydroxymethyl)phenyl]-2-methylpropanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.54, 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]-2-methylpropanoic acid is sourced from PubChem (CID 66588956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).