2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid

C11H14O3 — CID 83878748

IUPAC2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(C(C)C(=O)O)c(O)c1C
InChIInChI=1S/C11H14O3/c1-6-4-5-9(8(3)11(13)14)10(12)7(6)2/h4-5,8,12H,1-3H3,(H,13,14)
InChIKeyDLQIKFAURYXUDN-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.20
Rot. Bonds2

About 2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid

2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid (PubChem CID 83878748) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
PubChem CID83878748
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(C(C)C(=O)O)c(O)c1C
InChIInChI=1S/C11H14O3/c1-6-4-5-9(8(3)11(13)14)10(12)7(6)2/h4-5,8,12H,1-3H3,(H,13,14)
InChIKeyDLQIKFAURYXUDN-UHFFFAOYSA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83903974
2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid
CID 165347543
2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 84811622
3-(2-hydroxy-3,4-dimethylphenyl)butanal
CID 117283131
2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid
CID 67119258
2-(4-iodo-2-methylphenyl)propanoic acid
CID 131284979
2-(5-iodo-2-methylphenyl)propanoic acid
CID 57419648
2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
CID 175234713
[3-(2-hydroxy-3,4-dimethylphenyl)-3-phenylpropyl] acetate
CID 85223537
2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid
CID 117305155
2-(2,5-dihydroxy-4-methylphenyl)propanoic acid
CID 23177136
2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid
CID 121015128

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid (CID 83878748) is 2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid is Cc1ccc(C(C)C(=O)O)c(O)c1C.
What is the InChIKey of 2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid?
The InChIKey is DLQIKFAURYXUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-6-4-5-9(8(3)11(13)14)10(12)7(6)2/h4-5,8,12H,1-3H3,(H,13,14).
What are the key properties of 2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid?
2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 83878748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).