ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate

C14H20O4 — CID 86689297

IUPACethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(OCC(C)C)c1
InChIInChI=1S/C14H20O4/c1-4-16-14(15)10-18-13-7-5-6-12(8-13)17-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyXTKPLTVMBRBAHI-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.66
Rot. Bonds7

About ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate

ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate (PubChem CID 86689297) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
PubChem CID86689297
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Nameethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(OCC(C)C)c1
InChIInChI=1S/C14H20O4/c1-4-16-14(15)10-18-13-7-5-6-12(8-13)17-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyXTKPLTVMBRBAHI-UHFFFAOYSA-N
XLogP2.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
2-methylpropyl 2-(3-bromophenoxy)acetate
CID 142449056
N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide
CID 118423929
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798
acetyl 3-(2-ethoxy-2-oxoethoxy)benzoate
CID 169229765
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
[[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium
CID 154463591
(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
CID 2334250
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
(2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate
CID 2334247

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate?
The IUPAC name of ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate (CID 86689297) is ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate is CCOC(=O)COc1cccc(OCC(C)C)c1.
What is the InChIKey of ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate?
The InChIKey is XTKPLTVMBRBAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-16-14(15)10-18-13-7-5-6-12(8-13)17-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate?
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate has a molecular weight of 252.31 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate is sourced from PubChem (CID 86689297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).