ethyl 4-hydroxy-2-propylbenzoate

C12H16O3 — CID 66937592

IUPACethyl 4-hydroxy-2-propylbenzoate
SMILESCCCc1cc(O)ccc1C(=O)OCC
InChIInChI=1S/C12H16O3/c1-3-5-9-8-10(13)6-7-11(9)12(14)15-4-2/h6-8,13H,3-5H2,1-2H3
InChIKeyKZBUVURSDAQDBD-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.52
Rot. Bonds4

About ethyl 4-hydroxy-2-propylbenzoate

ethyl 4-hydroxy-2-propylbenzoate (PubChem CID 66937592) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-propylbenzoate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-propylbenzoate
PubChem CID66937592
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethyl 4-hydroxy-2-propylbenzoate
SMILESCCCc1cc(O)ccc1C(=O)OCC
InChIInChI=1S/C12H16O3/c1-3-5-9-8-10(13)6-7-11(9)12(14)15-4-2/h6-8,13H,3-5H2,1-2H3
InChIKeyKZBUVURSDAQDBD-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641178
phenyl 4-hydroxy-2-propylbenzoate
CID 70366089
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681
carbonic acid;ethyl 2-propylbenzoate
CID 174721035
sodium;4-hydroxy-2-propylbenzoate;trihydrate
CID 67564094
[4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate
CID 67954843
ethyl 5-hydroxy-2-iodobenzoate
CID 3629154
ethyl 2-amino-3-propylbenzoate
CID 60835647
ethyl 6-propyl-1,3-benzodioxole-5-carboxylate
CID 91664941
ethyl 2-(methoxymethyl)-4-methylbenzoate
CID 177243717
phenyl 2-butyl-4-hydroxybenzoate
CID 174424023
ethenyl 4-amino-2-propylbenzoate
CID 54077984

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-propylbenzoate?
The IUPAC name of ethyl 4-hydroxy-2-propylbenzoate (CID 66937592) is ethyl 4-hydroxy-2-propylbenzoate.
What is the SMILES notation for ethyl 4-hydroxy-2-propylbenzoate?
The canonical SMILES for ethyl 4-hydroxy-2-propylbenzoate is CCCc1cc(O)ccc1C(=O)OCC.
What is the InChIKey of ethyl 4-hydroxy-2-propylbenzoate?
The InChIKey is KZBUVURSDAQDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-5-9-8-10(13)6-7-11(9)12(14)15-4-2/h6-8,13H,3-5H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-2-propylbenzoate?
ethyl 4-hydroxy-2-propylbenzoate has a molecular weight of 208.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-propylbenzoate is sourced from PubChem (CID 66937592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).