ethyl 3-hydroxybenzoate

C9H10O3 — CID 24522

IUPACethyl 3-hydroxybenzoate
SMILESCCOC(=O)c1cccc(O)c1
InChIInChI=1S/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
InChIKeyMWSMNBYIEBRXAL-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.57
Rot. Bonds2

About ethyl 3-hydroxybenzoate

ethyl 3-hydroxybenzoate (PubChem CID 24522) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is ethyl 3-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 3-hydroxybenzoate
PubChem CID24522
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Nameethyl 3-hydroxybenzoate
SMILESCCOC(=O)c1cccc(O)c1
InChIInChI=1S/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
InChIKeyMWSMNBYIEBRXAL-UHFFFAOYSA-N
XLogP1.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxybenzoate?
The IUPAC name of ethyl 3-hydroxybenzoate (CID 24522) is ethyl 3-hydroxybenzoate.
What is the SMILES notation for ethyl 3-hydroxybenzoate?
The canonical SMILES for ethyl 3-hydroxybenzoate is CCOC(=O)c1cccc(O)c1.
What is the InChIKey of ethyl 3-hydroxybenzoate?
The InChIKey is MWSMNBYIEBRXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3.
What are the key properties of ethyl 3-hydroxybenzoate?
ethyl 3-hydroxybenzoate has a molecular weight of 166.18 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxybenzoate is sourced from PubChem (CID 24522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).