ethyl 3,5-dihydroxybenzoate

C9H10O4 — CID 20098

IUPACethyl 3,5-dihydroxybenzoate
SMILESCCOC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C9H10O4/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5,10-11H,2H2,1H3
InChIKeyAPHYVLPIZUVDTK-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.27
Rot. Bonds2

About ethyl 3,5-dihydroxybenzoate

ethyl 3,5-dihydroxybenzoate (PubChem CID 20098) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is ethyl 3,5-dihydroxybenzoate.

Molecular Properties

Compound Nameethyl 3,5-dihydroxybenzoate
PubChem CID20098
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Nameethyl 3,5-dihydroxybenzoate
SMILESCCOC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C9H10O4/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5,10-11H,2H2,1H3
InChIKeyAPHYVLPIZUVDTK-UHFFFAOYSA-N
XLogP1.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dihydroxybenzoate?
The IUPAC name of ethyl 3,5-dihydroxybenzoate (CID 20098) is ethyl 3,5-dihydroxybenzoate.
What is the SMILES notation for ethyl 3,5-dihydroxybenzoate?
The canonical SMILES for ethyl 3,5-dihydroxybenzoate is CCOC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of ethyl 3,5-dihydroxybenzoate?
The InChIKey is APHYVLPIZUVDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5,10-11H,2H2,1H3.
What are the key properties of ethyl 3,5-dihydroxybenzoate?
ethyl 3,5-dihydroxybenzoate has a molecular weight of 182.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dihydroxybenzoate is sourced from PubChem (CID 20098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).