3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid

C12H16O4 — CID 105423407

IUPAC3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid
SMILESCOc1cc(CC(C)C(=O)O)c(C)cc1O
InChIInChI=1S/C12H16O4/c1-7-5-10(13)11(16-3)6-9(7)4-8(2)12(14)15/h5-6,8,13H,4H2,1-3H3,(H,14,15)
InChIKeyDXYMZBWYSPRJOF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.97
Rot. Bonds4

About 3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid

3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid (PubChem CID 105423407) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid
PubChem CID105423407
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid
SMILESCOc1cc(CC(C)C(=O)O)c(C)cc1O
InChIInChI=1S/C12H16O4/c1-7-5-10(13)11(16-3)6-9(7)4-8(2)12(14)15/h5-6,8,13H,4H2,1-3H3,(H,14,15)
InChIKeyDXYMZBWYSPRJOF-UHFFFAOYSA-N
XLogP1.97
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxy-5-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 117321917
3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841
3-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117384067
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173
3-(2,4-difluoro-3,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117404338
3-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-methylpropanoic acid
CID 117428925
3-(4-hydroxy-2-methoxy-5-methoxycarbonylphenyl)-2-methylpropanoic acid
CID 117424095
3-(4-chloro-3-hydroxy-5-methoxyphenyl)-2-methylpropanoic acid
CID 84802661
3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
CID 83899882
2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid
CID 117323060
3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117384048

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid (CID 105423407) is 3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid is COc1cc(CC(C)C(=O)O)c(C)cc1O.
What is the InChIKey of 3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid?
The InChIKey is DXYMZBWYSPRJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7-5-10(13)11(16-3)6-9(7)4-8(2)12(14)15/h5-6,8,13H,4H2,1-3H3,(H,14,15).
What are the key properties of 3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid?
3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-5-methoxy-2-methylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 105423407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).