ethyl 2,4-dihydroxybenzoate

C9H10O4 — CID 821388

IUPACethyl 2,4-dihydroxybenzoate
SMILESCCOC(=O)c1ccc(O)cc1O
InChIInChI=1S/C9H10O4/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5,10-11H,2H2,1H3
InChIKeyBRDIPNLKURUXCU-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.27
Rot. Bonds2

About ethyl 2,4-dihydroxybenzoate

ethyl 2,4-dihydroxybenzoate (PubChem CID 821388) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is ethyl 2,4-dihydroxybenzoate.

Molecular Properties

Compound Nameethyl 2,4-dihydroxybenzoate
PubChem CID821388
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Nameethyl 2,4-dihydroxybenzoate
SMILESCCOC(=O)c1ccc(O)cc1O
InChIInChI=1S/C9H10O4/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5,10-11H,2H2,1H3
InChIKeyBRDIPNLKURUXCU-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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Related Compounds

Methylparaben
CID 7456
Propylparaben
CID 7175
Butylparaben
CID 7184
Genistein
CID 5280961
Methyl Salicylate
CID 4133
Propyl Gallate
CID 4947
Ethylparaben
CID 8434
Octabenzone
CID 15797
Apigenin
CID 5280443
2-Hydroxy-4-methoxybenzophenone
CID 4632
Phloretin
CID 4788
Zeranol
CID 2999413

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dihydroxybenzoate?
The IUPAC name of ethyl 2,4-dihydroxybenzoate (CID 821388) is ethyl 2,4-dihydroxybenzoate.
What is the SMILES notation for ethyl 2,4-dihydroxybenzoate?
The canonical SMILES for ethyl 2,4-dihydroxybenzoate is CCOC(=O)c1ccc(O)cc1O.
What is the InChIKey of ethyl 2,4-dihydroxybenzoate?
The InChIKey is BRDIPNLKURUXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5,10-11H,2H2,1H3.
What are the key properties of ethyl 2,4-dihydroxybenzoate?
ethyl 2,4-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 2,4-dihydroxybenzoate is sourced from PubChem (CID 821388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).