2-ethoxy-1-(4-ethylphenyl)propan-1-one

C13H18O2 — CID 43799619

IUPAC2-ethoxy-1-(4-ethylphenyl)propan-1-one
SMILESCCOC(C)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H18O2/c1-4-11-6-8-12(9-7-11)13(14)10(3)15-5-2/h6-10H,4-5H2,1-3H3
InChIKeyFBDZLMPAHLIBPK-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.86
Rot. Bonds5

About 2-ethoxy-1-(4-ethylphenyl)propan-1-one

2-ethoxy-1-(4-ethylphenyl)propan-1-one (PubChem CID 43799619) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-ethoxy-1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(4-ethylphenyl)propan-1-one
PubChem CID43799619
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-ethoxy-1-(4-ethylphenyl)propan-1-one
SMILESCCOC(C)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H18O2/c1-4-11-6-8-12(9-7-11)13(14)10(3)15-5-2/h6-10H,4-5H2,1-3H3
InChIKeyFBDZLMPAHLIBPK-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one
CID 82006429
1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82955506
2-(cyclopentylmethoxy)-1-(4-ethylphenyl)propan-1-one
CID 66322866
4-O-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239598
2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7752998
1-(4-ethylphenyl)-2-methylsulfonylpropan-1-one
CID 62784024
1-(4-ethylphenyl)-2-ethylsulfinylpropan-1-one
CID 64639873
2-cyclobutyloxy-1-(4-ethylphenyl)propan-1-one
CID 62142171
1-(4-ethylphenyl)-2,2-dipropoxyethanone
CID 14761625
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-ethylphenyl)propan-1-one?
The IUPAC name of 2-ethoxy-1-(4-ethylphenyl)propan-1-one (CID 43799619) is 2-ethoxy-1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 2-ethoxy-1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 2-ethoxy-1-(4-ethylphenyl)propan-1-one is CCOC(C)C(=O)c1ccc(CC)cc1.
What is the InChIKey of 2-ethoxy-1-(4-ethylphenyl)propan-1-one?
The InChIKey is FBDZLMPAHLIBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-11-6-8-12(9-7-11)13(14)10(3)15-5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-1-(4-ethylphenyl)propan-1-one?
2-ethoxy-1-(4-ethylphenyl)propan-1-one has a molecular weight of 206.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 43799619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).