ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate

C11H14O4 — CID 119089114

IUPACethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate
SMILESCCOC(=O)c1ccc(O)c(CCO)c1
InChIInChI=1S/C11H14O4/c1-2-15-11(14)9-3-4-10(13)8(7-9)5-6-12/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyHWPOQETWSVABIP-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.10
Rot. Bonds4

About ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate

ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate (PubChem CID 119089114) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate.

Molecular Properties

Compound Nameethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate
PubChem CID119089114
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate
SMILESCCOC(=O)c1ccc(O)c(CCO)c1
InChIInChI=1S/C11H14O4/c1-2-15-11(14)9-3-4-10(13)8(7-9)5-6-12/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyHWPOQETWSVABIP-UHFFFAOYSA-N
XLogP1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641174
ethyl 3,4-dibutylbenzoate
CID 166060053
ethyl 4-hydroxy-3-iodobenzoate
CID 11220038
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 4-ethyl-3-(3-oxopropyl)benzoate
CID 134641777
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
ethyl 4-(3-chloro-2-oxopropyl)-3-hydroxybenzoate
CID 134645365
(dimethylamino)methyl 3-ethyl-4-hydroxybenzoate
CID 175598395
ethyl 3-(5-ethoxycarbonyl-2-hydroxyphenyl)sulfonyl-4-hydroxybenzoate;hydrate
CID 70358894
ethyl 3-(2-cyanoethyl)-4-ethylbenzoate
CID 134642932
4-ethoxycarbonyl-2-hydroxybenzoic acid
CID 51063880
ethanol;ethyl 4-hydroxy-3-methoxybenzoate;4-hydroxy-3-methoxybenzoic acid
CID 162180996

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate?
The IUPAC name of ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate (CID 119089114) is ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate.
What is the SMILES notation for ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate?
The canonical SMILES for ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate is CCOC(=O)c1ccc(O)c(CCO)c1.
What is the InChIKey of ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate?
The InChIKey is HWPOQETWSVABIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-15-11(14)9-3-4-10(13)8(7-9)5-6-12/h3-4,7,12-13H,2,5-6H2,1H3.
What are the key properties of ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate?
ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate has a molecular weight of 210.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate is sourced from PubChem (CID 119089114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).