ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate

C12H16O4 — CID 78931582

IUPACethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1[C@H](C)O
InChIInChI=1S/C12H16O4/c1-3-15-12(14)8-16-11-7-5-4-6-10(11)9(2)13/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1
InChIKeySZGPVBFPXUAEES-VIFPVBQESA-N
MW224.26 g/mol
LogP1.68
Rot. Bonds5

About ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate

ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate (PubChem CID 78931582) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
PubChem CID78931582
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1[C@H](C)O
InChIInChI=1S/C12H16O4/c1-3-15-12(14)8-16-11-7-5-4-6-10(11)9(2)13/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1
InChIKeySZGPVBFPXUAEES-VIFPVBQESA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
butyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931640
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
ethyl 2-[2-[cyano(hydroperoxy)methyl]phenoxy]acetate
CID 89328311
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate
CID 103484892
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate
CID 78931073
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate (CID 78931582) is ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate is CCOC(=O)COc1ccccc1[C@H](C)O.
What is the InChIKey of ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate?
The InChIKey is SZGPVBFPXUAEES-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16O4/c1-3-15-12(14)8-16-11-7-5-4-6-10(11)9(2)13/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate?
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate has a molecular weight of 224.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate is sourced from PubChem (CID 78931582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).