ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate

C13H18O4 — CID 86193635

IUPACethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(CCO)cc1
InChIInChI=1S/C13H18O4/c1-2-16-13(15)8-10-17-12-5-3-11(4-6-12)7-9-14/h3-6,14H,2,7-10H2,1H3
InChIKeyTWMYBNRGCRSSLF-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.55
Rot. Bonds7

About ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate

ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate (PubChem CID 86193635) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
PubChem CID86193635
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(CCO)cc1
InChIInChI=1S/C13H18O4/c1-2-16-13(15)8-10-17-12-5-3-11(4-6-12)7-9-14/h3-6,14H,2,7-10H2,1H3
InChIKeyTWMYBNRGCRSSLF-UHFFFAOYSA-N
XLogP1.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride
CID 162639918
tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 46841627
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
ethyl 3-[4-(5-aminopentoxy)phenyl]propanoate
CID 162639923
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate
CID 43365328
ethyl 4-[4-(2-amino-2-oxoethyl)phenoxy]butanoate
CID 156541530
ethyl [4-(2-hydroxyethyl)phenyl] carbonate
CID 121224839
6-[4-(2-hydroxyethyl)phenoxy]hexanehydrazide
CID 107710067
ethyl 3-[4-[1,1-bis[4-(2-ethoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]propanoate
CID 25126559
ethyl 3-[4-[3-(azepan-1-yl)propoxy]phenyl]propanoate
CID 67547983

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate?
The IUPAC name of ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate (CID 86193635) is ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate?
The canonical SMILES for ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate is CCOC(=O)CCOc1ccc(CCO)cc1.
What is the InChIKey of ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate?
The InChIKey is TWMYBNRGCRSSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-2-16-13(15)8-10-17-12-5-3-11(4-6-12)7-9-14/h3-6,14H,2,7-10H2,1H3.
What are the key properties of ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate?
ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate has a molecular weight of 238.28 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate is sourced from PubChem (CID 86193635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).