3-ethoxy-1-phenylpentan-2-one

C13H18O2 — CID 116707454

IUPAC3-ethoxy-1-phenylpentan-2-one
SMILESCCOC(CC)C(=O)Cc1ccccc1
InChIInChI=1S/C13H18O2/c1-3-13(15-4-2)12(14)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3
InChIKeyORAZHGUCGMHXII-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.61
Rot. Bonds6

About 3-ethoxy-1-phenylpentan-2-one

3-ethoxy-1-phenylpentan-2-one (PubChem CID 116707454) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-ethoxy-1-phenylpentan-2-one.

Molecular Properties

Compound Name3-ethoxy-1-phenylpentan-2-one
PubChem CID116707454
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-ethoxy-1-phenylpentan-2-one
SMILESCCOC(CC)C(=O)Cc1ccccc1
InChIInChI=1S/C13H18O2/c1-3-13(15-4-2)12(14)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3
InChIKeyORAZHGUCGMHXII-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-ethoxypentan-2-one
CID 116707451
2-ethoxy-3-phenylpropanoic acid
CID 54403311
2-[amino(ethoxy)methyl]-3-oxo-4-phenylbutanoic acid
CID 141155156
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-one
CID 107308023
(2S)-2-(2-phenylacetyl)oxybutanoic acid
CID 124585457
2-phenylmethoxybutanoic acid
CID 11816388
3-ethoxy-1-pyridin-4-ylhexan-2-one
CID 116707737
1-(5-chlorothiophen-2-yl)-3-ethoxypentan-2-one
CID 116707702
3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 116707579
1-(2-bromo-4-fluorophenyl)-3-ethoxypentan-2-one
CID 116707531
1,1-diethoxy-3-(4-propan-2-ylphenyl)propan-2-one
CID 79494965
ethyl 2-phenylacetate
CID 7590

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-phenylpentan-2-one?
The IUPAC name of 3-ethoxy-1-phenylpentan-2-one (CID 116707454) is 3-ethoxy-1-phenylpentan-2-one.
What is the SMILES notation for 3-ethoxy-1-phenylpentan-2-one?
The canonical SMILES for 3-ethoxy-1-phenylpentan-2-one is CCOC(CC)C(=O)Cc1ccccc1.
What is the InChIKey of 3-ethoxy-1-phenylpentan-2-one?
The InChIKey is ORAZHGUCGMHXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-13(15-4-2)12(14)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3.
What are the key properties of 3-ethoxy-1-phenylpentan-2-one?
3-ethoxy-1-phenylpentan-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-phenylpentan-2-one is sourced from PubChem (CID 116707454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).