ethyl 4-(2-hydroxyethyl)benzoate

C11H14O3 — CID 23020689

IUPACethyl 4-(2-hydroxyethyl)benzoate
SMILESCCOC(=O)c1ccc(CCO)cc1
InChIInChI=1S/C11H14O3/c1-2-14-11(13)10-5-3-9(4-6-10)7-8-12/h3-6,12H,2,7-8H2,1H3
InChIKeyJKXGZIIFDKHATD-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.40
Rot. Bonds4

About ethyl 4-(2-hydroxyethyl)benzoate

ethyl 4-(2-hydroxyethyl)benzoate (PubChem CID 23020689) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 4-(2-hydroxyethyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxyethyl)benzoate
PubChem CID23020689
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameethyl 4-(2-hydroxyethyl)benzoate
SMILESCCOC(=O)c1ccc(CCO)cc1
InChIInChI=1S/C11H14O3/c1-2-14-11(13)10-5-3-9(4-6-10)7-8-12/h3-6,12H,2,7-8H2,1H3
InChIKeyJKXGZIIFDKHATD-UHFFFAOYSA-N
XLogP1.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-octylbenzoate
CID 19591720
ethyl 4-(2-acetyloxyethyl)benzoate
CID 70067514
ethyl 4-(3-methylbut-3-enyl)benzoate
CID 24721809
ethyl 4-(3-hydroxybutyl)benzoate
CID 71663434
ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
CID 143813025
ethyl 4-(4,4-dimethylpentyl)benzoate
CID 59479842
ethyl 4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoate
CID 118033133
ethyl 4-[3-(dimethylamino)propyl]benzoate
CID 22908170
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-(4-heptylphenyl)benzoate
CID 146004855

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxyethyl)benzoate?
The IUPAC name of ethyl 4-(2-hydroxyethyl)benzoate (CID 23020689) is ethyl 4-(2-hydroxyethyl)benzoate.
What is the SMILES notation for ethyl 4-(2-hydroxyethyl)benzoate?
The canonical SMILES for ethyl 4-(2-hydroxyethyl)benzoate is CCOC(=O)c1ccc(CCO)cc1.
What is the InChIKey of ethyl 4-(2-hydroxyethyl)benzoate?
The InChIKey is JKXGZIIFDKHATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-14-11(13)10-5-3-9(4-6-10)7-8-12/h3-6,12H,2,7-8H2,1H3.
What are the key properties of ethyl 4-(2-hydroxyethyl)benzoate?
ethyl 4-(2-hydroxyethyl)benzoate has a molecular weight of 194.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxyethyl)benzoate is sourced from PubChem (CID 23020689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).