4-ethyl-4-phenylhexan-3-one

C14H20O — CID 63083231

IUPAC4-ethyl-4-phenylhexan-3-one
SMILESCCC(=O)C(CC)(CC)c1ccccc1
InChIInChI=1S/C14H20O/c1-4-13(15)14(5-2,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyPXCXLJIMZRMKIF-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.72
Rot. Bonds5

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

4-ethyl-4-phenylhexan-3-one (PubChem CID 63083231) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-ethyl-4-phenylhexan-3-one.

Molecular Properties

Compound Name4-ethyl-4-phenylhexan-3-one
PubChem CID63083231
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-ethyl-4-phenylhexan-3-one
SMILESCCC(=O)C(CC)(CC)c1ccccc1
InChIInChI=1S/C14H20O/c1-4-13(15)14(5-2,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyPXCXLJIMZRMKIF-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-2-methyl-5-phenylhept-1-en-4-one
CID 79179964
4-ethyl-1-methoxy-4-phenylhexan-3-one
CID 114992026
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
2,2-diphenylpentan-3-one
CID 70793023
4-amino-4-phenylhexan-3-one
CID 67459117
ethyl 5-ethyl-4-oxo-5-phenylheptanoate
CID 66323607
5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one
CID 145233925
5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one
CID 145233914
2-ethyl-2-phenyldecanedioic acid
CID 159619008
(2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one
CID 101403805
2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
CID 79426124

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-phenylhexan-3-one?
The IUPAC name of 4-ethyl-4-phenylhexan-3-one (CID 63083231) is 4-ethyl-4-phenylhexan-3-one.
What is the SMILES notation for 4-ethyl-4-phenylhexan-3-one?
The canonical SMILES for 4-ethyl-4-phenylhexan-3-one is CCC(=O)C(CC)(CC)c1ccccc1.
What is the InChIKey of 4-ethyl-4-phenylhexan-3-one?
The InChIKey is PXCXLJIMZRMKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-4-13(15)14(5-2,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-4-phenylhexan-3-one?
4-ethyl-4-phenylhexan-3-one has a molecular weight of 204.31 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-phenylhexan-3-one is sourced from PubChem (CID 63083231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).