1-(5-ethyl-2-propan-2-ylphenyl)ethanone

C13H18O — CID 117281997

IUPAC1-(5-ethyl-2-propan-2-ylphenyl)ethanone
SMILESCCc1ccc(C(C)C)c(C(C)=O)c1
InChIInChI=1S/C13H18O/c1-5-11-6-7-12(9(2)3)13(8-11)10(4)14/h6-9H,5H2,1-4H3
InChIKeyMULDPLZOFKLKRJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.58
Rot. Bonds3

About 1-(5-ethyl-2-propan-2-ylphenyl)ethanone

1-(5-ethyl-2-propan-2-ylphenyl)ethanone (PubChem CID 117281997) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(5-ethyl-2-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2-propan-2-ylphenyl)ethanone
PubChem CID117281997
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(5-ethyl-2-propan-2-ylphenyl)ethanone
SMILESCCc1ccc(C(C)C)c(C(C)=O)c1
InChIInChI=1S/C13H18O/c1-5-11-6-7-12(9(2)3)13(8-11)10(4)14/h6-9H,5H2,1-4H3
InChIKeyMULDPLZOFKLKRJ-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one
CID 117313299
1-(2-bromo-5-ethylphenyl)ethanone
CID 83988474
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid
CID 143022622
(2-acetyl-4-ethylphenyl) benzoate
CID 11832389
1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
CID 143344931
4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid
CID 117340908
propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
1-[4-ethyl-2-(2-methylphenyl)phenyl]ethanone
CID 20665286
1-bromo-1-[2-(difluoromethyl)-5-ethylphenyl]propan-2-one
CID 131366426
3-ethyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide
CID 142077467

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(5-ethyl-2-propan-2-ylphenyl)ethanone (CID 117281997) is 1-(5-ethyl-2-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(5-ethyl-2-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(5-ethyl-2-propan-2-ylphenyl)ethanone is CCc1ccc(C(C)C)c(C(C)=O)c1.
What is the InChIKey of 1-(5-ethyl-2-propan-2-ylphenyl)ethanone?
The InChIKey is MULDPLZOFKLKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-5-11-6-7-12(9(2)3)13(8-11)10(4)14/h6-9H,5H2,1-4H3.
What are the key properties of 1-(5-ethyl-2-propan-2-ylphenyl)ethanone?
1-(5-ethyl-2-propan-2-ylphenyl)ethanone has a molecular weight of 190.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 117281997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).