1-(2-ethylphenyl)-2,2-dimethylbutan-1-one

C14H20O — CID 146006575

IUPAC1-(2-ethylphenyl)-2,2-dimethylbutan-1-one
SMILESCCc1ccccc1C(=O)C(C)(C)CC
InChIInChI=1S/C14H20O/c1-5-11-9-7-8-10-12(11)13(15)14(3,4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyZCOIKIMVQQXHEW-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.87
Rot. Bonds4

About 1-(2-ethylphenyl)-2,2-dimethylbutan-1-one

1-(2-ethylphenyl)-2,2-dimethylbutan-1-one (PubChem CID 146006575) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2-ethylphenyl)-2,2-dimethylbutan-1-one
PubChem CID146006575
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(2-ethylphenyl)-2,2-dimethylbutan-1-one
SMILESCCc1ccccc1C(=O)C(C)(C)CC
InChIInChI=1S/C14H20O/c1-5-11-9-7-8-10-12(11)13(15)14(3,4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyZCOIKIMVQQXHEW-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 24724047
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
3,3-dimethyl-1-(2-methylphenyl)pentan-2-one
CID 62677864
2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one
CID 146007407
1-(2-ethylphenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
CID 146006566
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
(2-ethylphenyl) 2,2-dimethylbutanoate
CID 174752063
2-(2-ethylphenyl)-2-oxoacetic acid;hydrate
CID 174608087
5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 146004431

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-2,2-dimethylbutan-1-one?
The IUPAC name of 1-(2-ethylphenyl)-2,2-dimethylbutan-1-one (CID 146006575) is 1-(2-ethylphenyl)-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-(2-ethylphenyl)-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-(2-ethylphenyl)-2,2-dimethylbutan-1-one is CCc1ccccc1C(=O)C(C)(C)CC.
What is the InChIKey of 1-(2-ethylphenyl)-2,2-dimethylbutan-1-one?
The InChIKey is ZCOIKIMVQQXHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-11-9-7-8-10-12(11)13(15)14(3,4)6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-(2-ethylphenyl)-2,2-dimethylbutan-1-one?
1-(2-ethylphenyl)-2,2-dimethylbutan-1-one has a molecular weight of 204.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-2,2-dimethylbutan-1-one is sourced from PubChem (CID 146006575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).