ethyl 3-ethyl-4-hydroxy-2-methylbenzoate

C12H16O3 — CID 3025275

IUPACethyl 3-ethyl-4-hydroxy-2-methylbenzoate
SMILESCCOC(=O)c1ccc(O)c(CC)c1C
InChIInChI=1S/C12H16O3/c1-4-9-8(3)10(6-7-11(9)13)12(14)15-5-2/h6-7,13H,4-5H2,1-3H3
InChIKeyVRFGYUJCWQTRBE-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.44
Rot. Bonds3

About ethyl 3-ethyl-4-hydroxy-2-methylbenzoate

ethyl 3-ethyl-4-hydroxy-2-methylbenzoate (PubChem CID 3025275) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 3-ethyl-4-hydroxy-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 3-ethyl-4-hydroxy-2-methylbenzoate
PubChem CID3025275
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethyl 3-ethyl-4-hydroxy-2-methylbenzoate
SMILESCCOC(=O)c1ccc(O)c(CC)c1C
InChIInChI=1S/C12H16O3/c1-4-9-8(3)10(6-7-11(9)13)12(14)15-5-2/h6-7,13H,4-5H2,1-3H3
InChIKeyVRFGYUJCWQTRBE-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-4-hydroxy-2-methylbenzoate?
The IUPAC name of ethyl 3-ethyl-4-hydroxy-2-methylbenzoate (CID 3025275) is ethyl 3-ethyl-4-hydroxy-2-methylbenzoate.
What is the SMILES notation for ethyl 3-ethyl-4-hydroxy-2-methylbenzoate?
The canonical SMILES for ethyl 3-ethyl-4-hydroxy-2-methylbenzoate is CCOC(=O)c1ccc(O)c(CC)c1C.
What is the InChIKey of ethyl 3-ethyl-4-hydroxy-2-methylbenzoate?
The InChIKey is VRFGYUJCWQTRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-9-8(3)10(6-7-11(9)13)12(14)15-5-2/h6-7,13H,4-5H2,1-3H3.
What are the key properties of ethyl 3-ethyl-4-hydroxy-2-methylbenzoate?
ethyl 3-ethyl-4-hydroxy-2-methylbenzoate has a molecular weight of 208.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-4-hydroxy-2-methylbenzoate is sourced from PubChem (CID 3025275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).