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

C13H18O2 — CID 64698154

IUPAC4-(4-ethylphenoxy)pentan-2-one
SMILESCCc1ccc(OC(C)CC(C)=O)cc1
InChIInChI=1S/C13H18O2/c1-4-12-5-7-13(8-6-12)15-11(3)9-10(2)14/h5-8,11H,4,9H2,1-3H3
InChIKeyDJHGGITWVLREGR-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.00
Rot. Bonds5

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

4-(4-ethylphenoxy)pentan-2-one (PubChem CID 64698154) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(4-ethylphenoxy)pentan-2-one.

Molecular Properties

Compound Name4-(4-ethylphenoxy)pentan-2-one
PubChem CID64698154
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name4-(4-ethylphenoxy)pentan-2-one
SMILESCCc1ccc(OC(C)CC(C)=O)cc1
InChIInChI=1S/C13H18O2/c1-4-12-5-7-13(8-6-12)15-11(3)9-10(2)14/h5-8,11H,4,9H2,1-3H3
InChIKeyDJHGGITWVLREGR-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

3-(4-ethylphenoxy)butanoic acid
CID 43535961
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
3-(4-ethylphenoxy)pentane-2,4-dione
CID 86102382
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
2-(4-ethylphenoxy)pentan-3-one
CID 64866307
2-(4-ethylphenoxy)-N-methylpropan-1-amine
CID 54798642
(3S)-3-[4-(hydroxymethyl)phenoxy]butanoic acid
CID 103547969
1-(4-ethylphenoxy)propan-2-one
CID 21325379
4-[4-(4-isocyanatobenzoyl)phenoxy]pentan-2-one
CID 144556791
methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenoxy)pentan-2-one?
The IUPAC name of 4-(4-ethylphenoxy)pentan-2-one (CID 64698154) is 4-(4-ethylphenoxy)pentan-2-one.
What is the SMILES notation for 4-(4-ethylphenoxy)pentan-2-one?
The canonical SMILES for 4-(4-ethylphenoxy)pentan-2-one is CCc1ccc(OC(C)CC(C)=O)cc1.
What is the InChIKey of 4-(4-ethylphenoxy)pentan-2-one?
The InChIKey is DJHGGITWVLREGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-12-5-7-13(8-6-12)15-11(3)9-10(2)14/h5-8,11H,4,9H2,1-3H3.
What are the key properties of 4-(4-ethylphenoxy)pentan-2-one?
4-(4-ethylphenoxy)pentan-2-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 4-(4-ethylphenoxy)pentan-2-one is sourced from PubChem (CID 64698154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).