ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate

C13H18O4 — CID 43503550

IUPACethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C(O)CC
InChIInChI=1S/C13H18O4/c1-3-11(14)10-7-5-6-8-12(10)17-9-13(15)16-4-2/h5-8,11,14H,3-4,9H2,1-2H3
InChIKeyHKTCSZKAEBWJMY-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.07
Rot. Bonds6

About ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate

ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate (PubChem CID 43503550) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
PubChem CID43503550
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C(O)CC
InChIInChI=1S/C13H18O4/c1-3-11(14)10-7-5-6-8-12(10)17-9-13(15)16-4-2/h5-8,11,14H,3-4,9H2,1-2H3
InChIKeyHKTCSZKAEBWJMY-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
CID 78930779
ethyl 2-[2-[cyano(hydroperoxy)methyl]phenoxy]acetate
CID 89328311
2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43503608
3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 54879106
3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79624419
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489531
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 78930255

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate (CID 43503550) is ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate is CCOC(=O)COc1ccccc1C(O)CC.
What is the InChIKey of ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate?
The InChIKey is HKTCSZKAEBWJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-11(14)10-7-5-6-8-12(10)17-9-13(15)16-4-2/h5-8,11,14H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate?
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate has a molecular weight of 238.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate is sourced from PubChem (CID 43503550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).