3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid

C12H16O3 — CID 115112810

IUPAC3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1cccc(CCO)c1)C(=O)O
InChIInChI=1S/C12H16O3/c1-9(12(14)15)7-11-4-2-3-10(8-11)5-6-13/h2-4,8-9,13H,5-7H2,1H3,(H,14,15)
InChIKeyFAHMGAIBXHUHBL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.48
Rot. Bonds5

About 3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid

3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid (PubChem CID 115112810) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid
PubChem CID115112810
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1cccc(CCO)c1)C(=O)O
InChIInChI=1S/C12H16O3/c1-9(12(14)15)7-11-4-2-3-10(8-11)5-6-13/h2-4,8-9,13H,5-7H2,1H3,(H,14,15)
InChIKeyFAHMGAIBXHUHBL-UHFFFAOYSA-N
XLogP1.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminophenyl)-2-methylpropanoic acid
CID 66894775
3-[3-(2,2-difluoropropyl)phenyl]-2-methylpropanoic acid
CID 84703295
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(2S)-3-[3-(1,5-dichloropentan-3-yl)phenyl]-2-methylpropanoic acid
CID 167155735
2-methyl-3-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]propanoic acid
CID 68837599
3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-methylpropanoic acid
CID 115112846
3-methyl-4-(3-propylphenyl)butan-2-one
CID 126489202
CID 67530586
CID 67530586
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid (CID 115112810) is 3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid is CC(Cc1cccc(CCO)c1)C(=O)O.
What is the InChIKey of 3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid?
The InChIKey is FAHMGAIBXHUHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(12(14)15)7-11-4-2-3-10(8-11)5-6-13/h2-4,8-9,13H,5-7H2,1H3,(H,14,15).
What are the key properties of 3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid?
3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 115112810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).