ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate

C15H22O4 — CID 107711619

IUPACethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
SMILESCCCC(Oc1ccccc1CCO)C(=O)OCC
InChIInChI=1S/C15H22O4/c1-3-7-14(15(17)18-4-2)19-13-9-6-5-8-12(13)10-11-16/h5-6,8-9,14,16H,3-4,7,10-11H2,1-2H3
InChIKeyZMIUGSQIVGICAF-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.33
Rot. Bonds8

About ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate

ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate (PubChem CID 107711619) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
PubChem CID107711619
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
SMILESCCCC(Oc1ccccc1CCO)C(=O)OCC
InChIInChI=1S/C15H22O4/c1-3-7-14(15(17)18-4-2)19-13-9-6-5-8-12(13)10-11-16/h5-6,8-9,14,16H,3-4,7,10-11H2,1-2H3
InChIKeyZMIUGSQIVGICAF-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-hydroxyethyl)phenoxy]pentanehydrazide
CID 107714182
ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate
CID 107711553
ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
CID 83049068
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate
CID 83037159
ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate
CID 139661476
2-phenoxypentaneperoxoic acid
CID 18459699
2-[2-(1-phenylethoxy)phenyl]ethanol
CID 107713134
(3S)-3-[2-(2-hydroxyethyl)phenoxy]butanoic acid
CID 107711645
ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
CID 115957916
ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate
CID 171866052

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate?
The IUPAC name of ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate (CID 107711619) is ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate.
What is the SMILES notation for ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate?
The canonical SMILES for ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate is CCCC(Oc1ccccc1CCO)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate?
The InChIKey is ZMIUGSQIVGICAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-7-14(15(17)18-4-2)19-13-9-6-5-8-12(13)10-11-16/h5-6,8-9,14,16H,3-4,7,10-11H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate?
ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate has a molecular weight of 266.34 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate is sourced from PubChem (CID 107711619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).