propyl 2-(3-ethylphenoxy)acetate

C13H18O3 — CID 71628037

IUPACpropyl 2-(3-ethylphenoxy)acetate
SMILESCCCOC(=O)COc1cccc(CC)c1
InChIInChI=1S/C13H18O3/c1-3-8-15-13(14)10-16-12-7-5-6-11(4-2)9-12/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeySXQBNCMFDNUUMW-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.58
Rot. Bonds6

About propyl 2-(3-ethylphenoxy)acetate

propyl 2-(3-ethylphenoxy)acetate (PubChem CID 71628037) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is propyl 2-(3-ethylphenoxy)acetate.

Molecular Properties

Compound Namepropyl 2-(3-ethylphenoxy)acetate
PubChem CID71628037
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namepropyl 2-(3-ethylphenoxy)acetate
SMILESCCCOC(=O)COc1cccc(CC)c1
InChIInChI=1S/C13H18O3/c1-3-8-15-13(14)10-16-12-7-5-6-11(4-2)9-12/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeySXQBNCMFDNUUMW-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-(3-methylphenoxy)acetate
CID 78907736
propyl 2-(4-ethylphenoxy)acetate
CID 78907907
2-(3-ethylphenoxy)-N-methylacetohydrazide
CID 116820496
2-(3-ethylphenoxy)ethyl 2-(2-fluorophenoxy)acetate
CID 55316441
4-(3-ethylphenoxy)butanamide
CID 82040637
2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 55303914
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222

Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-ethylphenoxy)acetate?
The IUPAC name of propyl 2-(3-ethylphenoxy)acetate (CID 71628037) is propyl 2-(3-ethylphenoxy)acetate.
What is the SMILES notation for propyl 2-(3-ethylphenoxy)acetate?
The canonical SMILES for propyl 2-(3-ethylphenoxy)acetate is CCCOC(=O)COc1cccc(CC)c1.
What is the InChIKey of propyl 2-(3-ethylphenoxy)acetate?
The InChIKey is SXQBNCMFDNUUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-8-15-13(14)10-16-12-7-5-6-11(4-2)9-12/h5-7,9H,3-4,8,10H2,1-2H3.
What are the key properties of propyl 2-(3-ethylphenoxy)acetate?
propyl 2-(3-ethylphenoxy)acetate has a molecular weight of 222.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3-ethylphenoxy)acetate is sourced from PubChem (CID 71628037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).