2-(3-hydroxy-4-methylphenoxy)propanoic acid

C10H12O4 — CID 90064680

IUPAC2-(3-hydroxy-4-methylphenoxy)propanoic acid
SMILESCc1ccc(OC(C)C(=O)O)cc1O
InChIInChI=1S/C10H12O4/c1-6-3-4-8(5-9(6)11)14-7(2)10(12)13/h3-5,7,11H,1-2H3,(H,12,13)
InChIKeyOCZFXAMPIQBTOC-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.55
Rot. Bonds3

About 2-(3-hydroxy-4-methylphenoxy)propanoic acid

2-(3-hydroxy-4-methylphenoxy)propanoic acid (PubChem CID 90064680) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylphenoxy)propanoic acid
PubChem CID90064680
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-(3-hydroxy-4-methylphenoxy)propanoic acid
SMILESCc1ccc(OC(C)C(=O)O)cc1O
InChIInChI=1S/C10H12O4/c1-6-3-4-8(5-9(6)11)14-7(2)10(12)13/h3-5,7,11H,1-2H3,(H,12,13)
InChIKeyOCZFXAMPIQBTOC-UHFFFAOYSA-N
XLogP1.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methylphenoxy)propanoic acid
CID 131031677
(2R)-2-(3-bromo-4-methylphenoxy)propanoic acid
CID 130962484
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-[4-[4-[4-(1-carboxyethoxy)-2-hydroxyphenyl]-6-[2-hydroxy-4-(1-oxopropan-2-yloxy)phenyl]-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoic acid
CID 142073089
2-(4-acetyloxy-2-methylphenoxy)propanoic acid
CID 170549700
sodium;hydride;2-phenoxypropanoic acid
CID 174562261

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylphenoxy)propanoic acid?
The IUPAC name of 2-(3-hydroxy-4-methylphenoxy)propanoic acid (CID 90064680) is 2-(3-hydroxy-4-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methylphenoxy)propanoic acid?
The canonical SMILES for 2-(3-hydroxy-4-methylphenoxy)propanoic acid is Cc1ccc(OC(C)C(=O)O)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methylphenoxy)propanoic acid?
The InChIKey is OCZFXAMPIQBTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6-3-4-8(5-9(6)11)14-7(2)10(12)13/h3-5,7,11H,1-2H3,(H,12,13).
What are the key properties of 2-(3-hydroxy-4-methylphenoxy)propanoic acid?
2-(3-hydroxy-4-methylphenoxy)propanoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylphenoxy)propanoic acid is sourced from PubChem (CID 90064680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).