1-(4-ethylphenyl)-4,4-dimethylpentan-1-one

C15H22O — CID 62621696

IUPAC1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
SMILESCCc1ccc(C(=O)CCC(C)(C)C)cc1
InChIInChI=1S/C15H22O/c1-5-12-6-8-13(9-7-12)14(16)10-11-15(2,3)4/h6-9H,5,10-11H2,1-4H3
InChIKeyHHSBOWRGUOLLOY-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.26
Rot. Bonds4

About 1-(4-ethylphenyl)-4,4-dimethylpentan-1-one

1-(4-ethylphenyl)-4,4-dimethylpentan-1-one (PubChem CID 62621696) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
PubChem CID62621696
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
SMILESCCc1ccc(C(=O)CCC(C)(C)C)cc1
InChIInChI=1S/C15H22O/c1-5-12-6-8-13(9-7-12)14(16)10-11-15(2,3)4/h6-9H,5,10-11H2,1-4H3
InChIKeyHHSBOWRGUOLLOY-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-(4-ethylphenyl)pentan-1-one
CID 146006591
4-(4-ethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727213
3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
3-(ethylamino)-1-(4-ethylphenyl)propan-1-one
CID 94255299
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-(4-ethylphenyl)-3-propoxypropan-1-one
CID 105085935
1-(4-ethylphenyl)hexane-1,3-dione
CID 61393286
1-(4-acetylphenyl)-5,5-dimethylhexan-1-one
CID 59887123
6-[4-(4-ethylphenyl)phenyl]-6-oxohexanoic acid
CID 23503105
4-ethoxy-1-(4-ethylphenyl)butan-1-one
CID 105085940
4-ethylbenzoic acid;formaldehyde
CID 155718391

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4,4-dimethylpentan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-4,4-dimethylpentan-1-one (CID 62621696) is 1-(4-ethylphenyl)-4,4-dimethylpentan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-4,4-dimethylpentan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-4,4-dimethylpentan-1-one is CCc1ccc(C(=O)CCC(C)(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4,4-dimethylpentan-1-one?
The InChIKey is HHSBOWRGUOLLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-12-6-8-13(9-7-12)14(16)10-11-15(2,3)4/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-4,4-dimethylpentan-1-one?
1-(4-ethylphenyl)-4,4-dimethylpentan-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4,4-dimethylpentan-1-one is sourced from PubChem (CID 62621696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).