1-(2,6-diethylphenyl)ethanone

C12H16O — CID 14939611

IUPAC1-(2,6-diethylphenyl)ethanone
SMILESCCc1cccc(CC)c1C(C)=O
InChIInChI=1S/C12H16O/c1-4-10-7-6-8-11(5-2)12(10)9(3)13/h6-8H,4-5H2,1-3H3
InChIKeyONNBSUZMCFTEQD-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.01
Rot. Bonds3

About 1-(2,6-diethylphenyl)ethanone

1-(2,6-diethylphenyl)ethanone (PubChem CID 14939611) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)ethanone
PubChem CID14939611
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-(2,6-diethylphenyl)ethanone
SMILESCCc1cccc(CC)c1C(C)=O
InChIInChI=1S/C12H16O/c1-4-10-7-6-8-11(5-2)12(10)9(3)13/h6-8H,4-5H2,1-3H3
InChIKeyONNBSUZMCFTEQD-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-ethyl-6-(trifluoromethyl)phenyl]ethanone
CID 149400336
1-(2-ethoxy-6-ethylphenyl)ethanone
CID 147544535
2,6-diethylbenzoic acid;molecular nitrogen
CID 70486014
CID 159202832
CID 159202832
acetic acid;1,3-diethyl-2-iodobenzene
CID 175748733
carbonic acid;1,2-diethylbenzene
CID 89388803
1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene
CID 143310954
1-(2-ethyl-6-fluorophenyl)propan-1-one
CID 118835757
4-(2,6-diethylphenyl)phenol
CID 21281287
(2,6-diethylphenyl) acetate
CID 23273842
1-[2-chloro-6-(iodomethyl)phenyl]ethanone
CID 89224717
ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 164952151

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)ethanone?
The IUPAC name of 1-(2,6-diethylphenyl)ethanone (CID 14939611) is 1-(2,6-diethylphenyl)ethanone.
What is the SMILES notation for 1-(2,6-diethylphenyl)ethanone?
The canonical SMILES for 1-(2,6-diethylphenyl)ethanone is CCc1cccc(CC)c1C(C)=O.
What is the InChIKey of 1-(2,6-diethylphenyl)ethanone?
The InChIKey is ONNBSUZMCFTEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-10-7-6-8-11(5-2)12(10)9(3)13/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2,6-diethylphenyl)ethanone?
1-(2,6-diethylphenyl)ethanone has a molecular weight of 176.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)ethanone is sourced from PubChem (CID 14939611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).