3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid

C13H18O3 — CID 23268445

IUPAC3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid
SMILESCc1c(C)c(CCC(=O)O)c(C)c(C)c1O
InChIInChI=1S/C13H18O3/c1-7-9(3)13(16)10(4)8(2)11(7)5-6-12(14)15/h16H,5-6H2,1-4H3,(H,14,15)
InChIKeyMOOGYOZPUZESBB-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.64
Rot. Bonds3

About 3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid

3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid (PubChem CID 23268445) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid
PubChem CID23268445
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid
SMILESCc1c(C)c(CCC(=O)O)c(C)c(C)c1O
InChIInChI=1S/C13H18O3/c1-7-9(3)13(16)10(4)8(2)11(7)5-6-12(14)15/h16H,5-6H2,1-4H3,(H,14,15)
InChIKeyMOOGYOZPUZESBB-UHFFFAOYSA-N
XLogP2.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117373754
3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 84696203
3-(5-bromo-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 117488022
3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 84703264
3-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 117400395
3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
CID 22943714
3-[7-(2-carboxyethyl)-3,8,12,13,17,18-hexamethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid
CID 11800693
3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84687629
3-(3-tert-butyl-2-hydroxy-6-methylphenyl)propanoic acid
CID 117345064
3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid
CID 84668059
3-(2,4-ditert-butyl-3-hydroxy-6-methylphenyl)propanoic acid
CID 154014380
ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid
CID 144504832

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid (CID 23268445) is 3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid is Cc1c(C)c(CCC(=O)O)c(C)c(C)c1O.
What is the InChIKey of 3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid?
The InChIKey is MOOGYOZPUZESBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-7-9(3)13(16)10(4)8(2)11(7)5-6-12(14)15/h16H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid?
3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid is sourced from PubChem (CID 23268445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).