Ethyl Salicylate

C9H10O3 — CID 8365

IUPACethyl 2-hydroxybenzoate
SMILESCCOC(=O)C1=CC=CC=C1O
InChIInChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
InChIKeyGYCKQBWUSACYIF-UHFFFAOYSA-N
MW166.17 g/mol
LogP3.00
Rot. Bonds3

About Ethyl Salicylate

Ethyl Salicylate (PubChem CID 8365) has the molecular formula C9H10O3 and a molecular weight of 166.17 g/mol. Its IUPAC name is ethyl 2-hydroxybenzoate.

Molecular Properties

Compound NameEthyl Salicylate
PubChem CID8365
Molecular FormulaC9H10O3
Molecular Weight166.17 g/mol
Exact Mass166.06
IUPAC Nameethyl 2-hydroxybenzoate
SMILESCCOC(=O)C1=CC=CC=C1O
InChIInChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
InChIKeyGYCKQBWUSACYIF-UHFFFAOYSA-N
XLogP3.00
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methylparaben
CID 7456
Salicylic Acid
CID 338
Propylparaben
CID 7175
Butylparaben
CID 7184
Methyl Salicylate
CID 4133
Ethylparaben
CID 8434
Aspirin
CID 2244
Salicylaldehyde
CID 6998
Benzyl Salicylate
CID 8363
Sodium Salicylate
CID 16760658
Salsalate
CID 5161
Benzyl 4-Hydroxybenzoate
CID 7180

Frequently Asked Questions

What is the IUPAC name of Ethyl Salicylate?
The IUPAC name of Ethyl Salicylate (CID 8365) is ethyl 2-hydroxybenzoate.
What is the SMILES notation for Ethyl Salicylate?
The canonical SMILES for Ethyl Salicylate is CCOC(=O)C1=CC=CC=C1O.
What is the InChIKey of Ethyl Salicylate?
The InChIKey is GYCKQBWUSACYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3.
What are the key properties of Ethyl Salicylate?
Ethyl Salicylate has a molecular weight of 166.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl Salicylate is sourced from PubChem (CID 8365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).