ethyl 4-hydroxybenzoate

C9H10O3 — CID 8434

IUPACethyl 4-hydroxybenzoate
SMILESCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChIKeyNUVBSKCKDOMJSU-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.57
Rot. Bonds2

About ethyl 4-hydroxybenzoate

ethyl 4-hydroxybenzoate (PubChem CID 8434) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is ethyl 4-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 4-hydroxybenzoate
PubChem CID8434
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Nameethyl 4-hydroxybenzoate
SMILESCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChIKeyNUVBSKCKDOMJSU-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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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Methylparaben
CID 7456
Propylparaben
CID 7175
Butylparaben
CID 7184
Methyl Salicylate
CID 4133
Propyl Gallate
CID 4947
Benzyl Salicylate
CID 8363
4'-Hydroxyacetophenone
CID 7469
Benzyl 4-Hydroxybenzoate
CID 7180
2-Ethylhexyl salicylate
CID 8364
Ethyl Salicylate
CID 8365
Heptyl p-hydroxybenzoate
CID 14138

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxybenzoate?
The IUPAC name of ethyl 4-hydroxybenzoate (CID 8434) is ethyl 4-hydroxybenzoate.
What is the SMILES notation for ethyl 4-hydroxybenzoate?
The canonical SMILES for ethyl 4-hydroxybenzoate is CCOC(=O)c1ccc(O)cc1.
What is the InChIKey of ethyl 4-hydroxybenzoate?
The InChIKey is NUVBSKCKDOMJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3.
What are the key properties of ethyl 4-hydroxybenzoate?
ethyl 4-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 4-hydroxybenzoate is sourced from PubChem (CID 8434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).