2-(4-ethylphenoxy)pentan-3-one

C13H18O2 — CID 64866307

IUPAC2-(4-ethylphenoxy)pentan-3-one
SMILESCCC(=O)C(C)Oc1ccc(CC)cc1
InChIInChI=1S/C13H18O2/c1-4-11-6-8-12(9-7-11)15-10(3)13(14)5-2/h6-10H,4-5H2,1-3H3
InChIKeyJEDCTXNNKZTQDQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-ethylphenoxy)pentan-3-one

2-(4-ethylphenoxy)pentan-3-one (PubChem CID 64866307) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)pentan-3-one.

Molecular Properties

Compound Name2-(4-ethylphenoxy)pentan-3-one
PubChem CID64866307
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-(4-ethylphenoxy)pentan-3-one
SMILESCCC(=O)C(C)Oc1ccc(CC)cc1
InChIInChI=1S/C13H18O2/c1-4-11-6-8-12(9-7-11)15-10(3)13(14)5-2/h6-10H,4-5H2,1-3H3
InChIKeyJEDCTXNNKZTQDQ-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-oxopentan-2-yloxy)benzonitrile
CID 64866744
butyl (2S)-2-(4-ethylphenoxy)propanoate
CID 71346852
2-(3,4-difluorophenoxy)pentan-3-one
CID 64869123
2-(4-ethylphenoxy)-N-(2-methylpropyl)propanamide
CID 60675159
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
3-(4-ethylphenoxy)pentane-2,4-dione
CID 86102382
3-(4-ethylphenoxy)butanoic acid
CID 43535961
4-(4-ethylphenoxy)pentan-2-one
CID 64698154
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
2-(4-ethylphenoxy)-1-[4-[2-(4-ethylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981285
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)pentan-3-one?
The IUPAC name of 2-(4-ethylphenoxy)pentan-3-one (CID 64866307) is 2-(4-ethylphenoxy)pentan-3-one.
What is the SMILES notation for 2-(4-ethylphenoxy)pentan-3-one?
The canonical SMILES for 2-(4-ethylphenoxy)pentan-3-one is CCC(=O)C(C)Oc1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)pentan-3-one?
The InChIKey is JEDCTXNNKZTQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-11-6-8-12(9-7-11)15-10(3)13(14)5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-(4-ethylphenoxy)pentan-3-one?
2-(4-ethylphenoxy)pentan-3-one has a molecular weight of 206.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)pentan-3-one is sourced from PubChem (CID 64866307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).