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

C12H16O4 — CID 105423410

IUPAC2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
SMILESCOc1cc(C)c(C(C)(C)C(=O)O)cc1O
InChIInChI=1S/C12H16O4/c1-7-5-10(16-4)9(13)6-8(7)12(2,3)11(14)15/h5-6,13H,1-4H3,(H,14,15)
InChIKeyNUSZVVXRADBJJB-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.07
Rot. Bonds3

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

2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid (PubChem CID 105423410) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
PubChem CID105423410
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
SMILESCOc1cc(C)c(C(C)(C)C(=O)O)cc1O
InChIInChI=1S/C12H16O4/c1-7-5-10(16-4)9(13)6-8(7)12(2,3)11(14)15/h5-6,13H,1-4H3,(H,14,15)
InChIKeyNUSZVVXRADBJJB-UHFFFAOYSA-N
XLogP2.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 82232441
3-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-one
CID 82286345
2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid
CID 105426079
2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
CID 82291650
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 82481489
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 82293509
2-(2-bromo-4,5-dihydroxyphenyl)-2-methylpropanoic acid
CID 105426089
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
2-(2-methoxy-4,5-dimethylanilino)-2-methylpropanoic acid
CID 115127742
3-(2-formyl-5-hydroxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117383577

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid (CID 105423410) is 2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid is COc1cc(C)c(C(C)(C)C(=O)O)cc1O.
What is the InChIKey of 2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid?
The InChIKey is NUSZVVXRADBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7-5-10(16-4)9(13)6-8(7)12(2,3)11(14)15/h5-6,13H,1-4H3,(H,14,15).
What are the key properties of 2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid?
2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 105423410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).