3-(3-hydroxyphenyl)-2-methylpropanoic acid

C10H12O3 — CID 23378291

IUPAC3-(3-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C10H12O3/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5H2,1H3,(H,12,13)
InChIKeyZTHRBJCNTAYZRE-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.66
Rot. Bonds3

About 3-(3-hydroxyphenyl)-2-methylpropanoic acid

3-(3-hydroxyphenyl)-2-methylpropanoic acid (PubChem CID 23378291) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-methylpropanoic acid
PubChem CID23378291
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-(3-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C10H12O3/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5H2,1H3,(H,12,13)
InChIKeyZTHRBJCNTAYZRE-UHFFFAOYSA-N
XLogP1.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-2-methylpropanoic acid (CID 23378291) is 3-(3-hydroxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-methylpropanoic acid is CC(Cc1cccc(O)c1)C(=O)O.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-methylpropanoic acid?
The InChIKey is ZTHRBJCNTAYZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5H2,1H3,(H,12,13).
What are the key properties of 3-(3-hydroxyphenyl)-2-methylpropanoic acid?
3-(3-hydroxyphenyl)-2-methylpropanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 23378291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).