ethyl 3-ethyl-2-hydroxybenzoate

C11H14O3 — CID 101432634

IUPACethyl 3-ethyl-2-hydroxybenzoate
SMILESCCOC(=O)c1cccc(CC)c1O
InChIInChI=1S/C11H14O3/c1-3-8-6-5-7-9(10(8)12)11(13)14-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyBUDDMZMSYUJQFJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.13
Rot. Bonds3

About ethyl 3-ethyl-2-hydroxybenzoate

ethyl 3-ethyl-2-hydroxybenzoate (PubChem CID 101432634) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 3-ethyl-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-hydroxybenzoate
PubChem CID101432634
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameethyl 3-ethyl-2-hydroxybenzoate
SMILESCCOC(=O)c1cccc(CC)c1O
InChIInChI=1S/C11H14O3/c1-3-8-6-5-7-9(10(8)12)11(13)14-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyBUDDMZMSYUJQFJ-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(aminomethyl)-2-hydroxybenzoate
CID 117275304
ethyl 2-hydroxy-3-prop-2-enylbenzoate
CID 71331435
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540
acetic acid;ethyl 2-ethylbenzoate
CID 162337312
ethyl 2-amino-3-propylbenzoate
CID 60835647
2-amino-1-(3-ethyl-2-hydroxyphenyl)propan-1-one
CID 84664766
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl acetate;3-ethyl-2-hydroxybenzoic acid;4-hydroxybenzoic acid
CID 174414438
2-ethylbenzoic acid;ethyl 2-methylbenzoate
CID 175978347
ethyl 2-ethyl-3-(2-phenylethyl)benzoate
CID 118039726
ethyl 4-amino-2,3-dihydroxybenzoate
CID 174666783
carbonic acid;ethyl 2-propylbenzoate
CID 174721035

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-hydroxybenzoate?
The IUPAC name of ethyl 3-ethyl-2-hydroxybenzoate (CID 101432634) is ethyl 3-ethyl-2-hydroxybenzoate.
What is the SMILES notation for ethyl 3-ethyl-2-hydroxybenzoate?
The canonical SMILES for ethyl 3-ethyl-2-hydroxybenzoate is CCOC(=O)c1cccc(CC)c1O.
What is the InChIKey of ethyl 3-ethyl-2-hydroxybenzoate?
The InChIKey is BUDDMZMSYUJQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-8-6-5-7-9(10(8)12)11(13)14-4-2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of ethyl 3-ethyl-2-hydroxybenzoate?
ethyl 3-ethyl-2-hydroxybenzoate has a molecular weight of 194.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-hydroxybenzoate is sourced from PubChem (CID 101432634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).