1-(2-ethylphenyl)-2-propylpentan-1-one

C16H24O — CID 146006581

IUPAC1-(2-ethylphenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccccc1CC
InChIInChI=1S/C16H24O/c1-4-9-14(10-5-2)16(17)15-12-8-7-11-13(15)6-3/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyLXSLXVPKYUDJOT-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.65
Rot. Bonds7

About 1-(2-ethylphenyl)-2-propylpentan-1-one

1-(2-ethylphenyl)-2-propylpentan-1-one (PubChem CID 146006581) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(2-ethylphenyl)-2-propylpentan-1-one
PubChem CID146006581
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(2-ethylphenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccccc1CC
InChIInChI=1S/C16H24O/c1-4-9-14(10-5-2)16(17)15-12-8-7-11-13(15)6-3/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyLXSLXVPKYUDJOT-UHFFFAOYSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethylbenzoic acid;tungsten
CID 23518478
barium(2+);bis(2-ethylbenzoate)
CID 101299927
bis(2-ethylbenzoate);lead(2+)
CID 101297382
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
N-(2-acetylphenyl)-2-propylpentanamide
CID 113329842
1-(2-methylthiophen-3-yl)-2-propylpentan-1-one
CID 102839853
2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
CID 116574492
2-(2-ethylphenyl)-2-oxoacetic acid;hydrate
CID 174608087
1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one
CID 15072612
1-(2-ethylphenyl)pentan-1-one;pentane
CID 142147591
3-benzylhexan-2-one
CID 12816361
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-2-propylpentan-1-one?
The IUPAC name of 1-(2-ethylphenyl)-2-propylpentan-1-one (CID 146006581) is 1-(2-ethylphenyl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(2-ethylphenyl)-2-propylpentan-1-one?
The canonical SMILES for 1-(2-ethylphenyl)-2-propylpentan-1-one is CCCC(CCC)C(=O)c1ccccc1CC.
What is the InChIKey of 1-(2-ethylphenyl)-2-propylpentan-1-one?
The InChIKey is LXSLXVPKYUDJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-4-9-14(10-5-2)16(17)15-12-8-7-11-13(15)6-3/h7-8,11-12,14H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)-2-propylpentan-1-one?
1-(2-ethylphenyl)-2-propylpentan-1-one has a molecular weight of 232.37 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-2-propylpentan-1-one is sourced from PubChem (CID 146006581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).