4-ethyl-1-phenylhexan-3-one

C14H20O — CID 71072308

IUPAC4-ethyl-1-phenylhexan-3-one
SMILESCCC(CC)C(=O)CCc1ccccc1
InChIInChI=1S/C14H20O/c1-3-13(4-2)14(15)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyOOCDKWGASIXYRA-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.62
Rot. Bonds6

About 4-ethyl-1-phenylhexan-3-one

4-ethyl-1-phenylhexan-3-one (PubChem CID 71072308) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-ethyl-1-phenylhexan-3-one.

Molecular Properties

Compound Name4-ethyl-1-phenylhexan-3-one
PubChem CID71072308
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-ethyl-1-phenylhexan-3-one
SMILESCCC(CC)C(=O)CCc1ccccc1
InChIInChI=1S/C14H20O/c1-3-13(4-2)14(15)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyOOCDKWGASIXYRA-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-1-phenylhexan-3-one
CID 103453087
4-bromo-1-phenylpentan-3-one
CID 121216753
2-ethyl-4-phenylbutanoic acid;hydrochloride
CID 174946521
2-hydroxy-1,5-diphenylpentan-3-one
CID 14469744
(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
CID 54757376
4-methoxy-1-phenylheptan-3-one
CID 116708295
(4S)-4-methyl-1-phenyldecan-3-one
CID 134925721
5-fluoro-1-phenylheptan-3-one
CID 134845186
1-phenyl-4-phenylsulfanylpentan-3-one
CID 134935307
2-methoxy-1,5-diphenylpentan-3-one
CID 50994790
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
4-ethyl-1-(furan-2-yl)hexan-3-one
CID 105117415

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-phenylhexan-3-one?
The IUPAC name of 4-ethyl-1-phenylhexan-3-one (CID 71072308) is 4-ethyl-1-phenylhexan-3-one.
What is the SMILES notation for 4-ethyl-1-phenylhexan-3-one?
The canonical SMILES for 4-ethyl-1-phenylhexan-3-one is CCC(CC)C(=O)CCc1ccccc1.
What is the InChIKey of 4-ethyl-1-phenylhexan-3-one?
The InChIKey is OOCDKWGASIXYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-13(4-2)14(15)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3.
What are the key properties of 4-ethyl-1-phenylhexan-3-one?
4-ethyl-1-phenylhexan-3-one has a molecular weight of 204.31 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-phenylhexan-3-one is sourced from PubChem (CID 71072308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).