ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate

C17H26O3 — CID 83042890

IUPACethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate
SMILESCCCC(C(=O)OCC)C(C)(O)c1ccc(CC)cc1
InChIInChI=1S/C17H26O3/c1-5-8-15(16(18)20-7-3)17(4,19)14-11-9-13(6-2)10-12-14/h9-12,15,19H,5-8H2,1-4H3
InChIKeySVTDYFSDUSBEAZ-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.44
Rot. Bonds7

About ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate

ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate (PubChem CID 83042890) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate
PubChem CID83042890
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Nameethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate
SMILESCCCC(C(=O)OCC)C(C)(O)c1ccc(CC)cc1
InChIInChI=1S/C17H26O3/c1-5-8-15(16(18)20-7-3)17(4,19)14-11-9-13(6-2)10-12-14/h9-12,15,19H,5-8H2,1-4H3
InChIKeySVTDYFSDUSBEAZ-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate
CID 83042470
ethyl 2-[1-(3-chlorophenyl)-1-hydroxyethyl]pentanoate
CID 83042781
ethyl 3-[4-(dimethylamino)phenyl]-2-ethyl-3-hydroxybutanoate
CID 62394361
ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
CID 83039272
ethyl (2R)-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 159573872
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724
3-(aminomethyl)-2-(4-ethylphenyl)pentan-2-ol
CID 79135658
diethyl 2-[(4-tert-butylphenyl)methyl]propanedioate
CID 15767037
ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
CID 79366999
2-amino-N-[2-(4-ethylphenyl)propan-2-yl]pentanamide
CID 119337742
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate?
The IUPAC name of ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate (CID 83042890) is ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate.
What is the SMILES notation for ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate?
The canonical SMILES for ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate is CCCC(C(=O)OCC)C(C)(O)c1ccc(CC)cc1.
What is the InChIKey of ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate?
The InChIKey is SVTDYFSDUSBEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-8-15(16(18)20-7-3)17(4,19)14-11-9-13(6-2)10-12-14/h9-12,15,19H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate?
ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate has a molecular weight of 278.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate is sourced from PubChem (CID 83042890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).