4-(2-ethoxyphenoxy)pentan-2-one

C13H18O3 — CID 64698334

IUPAC4-(2-ethoxyphenoxy)pentan-2-one
SMILESCCOc1ccccc1OC(C)CC(C)=O
InChIInChI=1S/C13H18O3/c1-4-15-12-7-5-6-8-13(12)16-11(3)9-10(2)14/h5-8,11H,4,9H2,1-3H3
InChIKeyDAUOLYKDOPWALU-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.83
Rot. Bonds6

About 4-(2-ethoxyphenoxy)pentan-2-one

4-(2-ethoxyphenoxy)pentan-2-one (PubChem CID 64698334) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)pentan-2-one.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)pentan-2-one
PubChem CID64698334
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-(2-ethoxyphenoxy)pentan-2-one
SMILESCCOc1ccccc1OC(C)CC(C)=O
InChIInChI=1S/C13H18O3/c1-4-15-12-7-5-6-8-13(12)16-11(3)9-10(2)14/h5-8,11H,4,9H2,1-3H3
InChIKeyDAUOLYKDOPWALU-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
4-(2-bromophenoxy)pentan-2-one
CID 64698957
4-[2-(hydroxymethyl)phenoxy]pentan-2-one
CID 64697349
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
2-(2-ethoxyphenoxy)propane-1,3-diol
CID 3030872
methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate
CID 114282388
3-(2-ethoxyphenoxy)-4,4,4-trifluorobutanoic acid
CID 55182429
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
(2R)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840850
(2S)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840848
(2-ethoxyphenyl) 2-methylbutanoate
CID 118040361
2-(2-ethoxyphenoxy)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704674

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)pentan-2-one?
The IUPAC name of 4-(2-ethoxyphenoxy)pentan-2-one (CID 64698334) is 4-(2-ethoxyphenoxy)pentan-2-one.
What is the SMILES notation for 4-(2-ethoxyphenoxy)pentan-2-one?
The canonical SMILES for 4-(2-ethoxyphenoxy)pentan-2-one is CCOc1ccccc1OC(C)CC(C)=O.
What is the InChIKey of 4-(2-ethoxyphenoxy)pentan-2-one?
The InChIKey is DAUOLYKDOPWALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-15-12-7-5-6-8-13(12)16-11(3)9-10(2)14/h5-8,11H,4,9H2,1-3H3.
What are the key properties of 4-(2-ethoxyphenoxy)pentan-2-one?
4-(2-ethoxyphenoxy)pentan-2-one has a molecular weight of 222.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)pentan-2-one is sourced from PubChem (CID 64698334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).