ethyl 4-hydroxy-2,6-dimethylbenzoate

C11H14O3 — CID 4091946

IUPACethyl 4-hydroxy-2,6-dimethylbenzoate
SMILESCCOC(=O)c1c(C)cc(O)cc1C
InChIInChI=1S/C11H14O3/c1-4-14-11(13)10-7(2)5-9(12)6-8(10)3/h5-6,12H,4H2,1-3H3
InChIKeyQNDFTFMMXSXAHT-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.19
Rot. Bonds2

About ethyl 4-hydroxy-2,6-dimethylbenzoate

ethyl 4-hydroxy-2,6-dimethylbenzoate (PubChem CID 4091946) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 4-hydroxy-2,6-dimethylbenzoate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2,6-dimethylbenzoate
PubChem CID4091946
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameethyl 4-hydroxy-2,6-dimethylbenzoate
SMILESCCOC(=O)c1c(C)cc(O)cc1C
InChIInChI=1S/C11H14O3/c1-4-14-11(13)10-7(2)5-9(12)6-8(10)3/h5-6,12H,4H2,1-3H3
InChIKeyQNDFTFMMXSXAHT-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2,6-dimethylbenzoate?
The IUPAC name of ethyl 4-hydroxy-2,6-dimethylbenzoate (CID 4091946) is ethyl 4-hydroxy-2,6-dimethylbenzoate.
What is the SMILES notation for ethyl 4-hydroxy-2,6-dimethylbenzoate?
The canonical SMILES for ethyl 4-hydroxy-2,6-dimethylbenzoate is CCOC(=O)c1c(C)cc(O)cc1C.
What is the InChIKey of ethyl 4-hydroxy-2,6-dimethylbenzoate?
The InChIKey is QNDFTFMMXSXAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-14-11(13)10-7(2)5-9(12)6-8(10)3/h5-6,12H,4H2,1-3H3.
What are the key properties of ethyl 4-hydroxy-2,6-dimethylbenzoate?
ethyl 4-hydroxy-2,6-dimethylbenzoate has a molecular weight of 194.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2,6-dimethylbenzoate is sourced from PubChem (CID 4091946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).