3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid

C11H14O4 — CID 146683483

IUPAC3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid
SMILESCOc1c(C)c(O)c(C)c(C(=O)O)c1C
InChIInChI=1S/C11H14O4/c1-5-8(11(13)14)6(2)10(15-4)7(3)9(5)12/h12H,1-4H3,(H,13,14)
InChIKeyUOGXUISJRFPYNW-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.02
Rot. Bonds2

About 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid

3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid (PubChem CID 146683483) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid.

Molecular Properties

Compound Name3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid
PubChem CID146683483
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid
SMILESCOc1c(C)c(O)c(C)c(C(=O)O)c1C
InChIInChI=1S/C11H14O4/c1-5-8(11(13)14)6(2)10(15-4)7(3)9(5)12/h12H,1-4H3,(H,13,14)
InChIKeyUOGXUISJRFPYNW-UHFFFAOYSA-N
XLogP2.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid?
The IUPAC name of 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid (CID 146683483) is 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid.
What is the SMILES notation for 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid?
The canonical SMILES for 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid is COc1c(C)c(O)c(C)c(C(=O)O)c1C.
What is the InChIKey of 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid?
The InChIKey is UOGXUISJRFPYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-5-8(11(13)14)6(2)10(15-4)7(3)9(5)12/h12H,1-4H3,(H,13,14).
What are the key properties of 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid?
3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid has a molecular weight of 210.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid is sourced from PubChem (CID 146683483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).