ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate

C17H18O3 — CID 14425758

IUPACethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(C(C)O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-3-20-17(19)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12(2)18/h4-12,18H,3H2,1-2H3
InChIKeyGUWCDGYUJVGSBF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.58
Rot. Bonds4

About ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate

ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate (PubChem CID 14425758) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate
PubChem CID14425758
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Nameethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(C(C)O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-3-20-17(19)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12(2)18/h4-12,18H,3H2,1-2H3
InChIKeyGUWCDGYUJVGSBF-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate?
The IUPAC name of ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate (CID 14425758) is ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate.
What is the SMILES notation for ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate?
The canonical SMILES for ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate is CCOC(=O)c1ccc(-c2ccc(C(C)O)cc2)cc1.
What is the InChIKey of ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate?
The InChIKey is GUWCDGYUJVGSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-20-17(19)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12(2)18/h4-12,18H,3H2,1-2H3.
What are the key properties of ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate?
ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate has a molecular weight of 270.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate is sourced from PubChem (CID 14425758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).