1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one

C14H20O2 — CID 116707669

IUPAC1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one
SMILESCCOC(CC)C(=O)c1cccc(C)c1C
InChIInChI=1S/C14H20O2/c1-5-13(16-6-2)14(15)12-9-7-8-10(3)11(12)4/h7-9,13H,5-6H2,1-4H3
InChIKeyCIRWDSZTAJTZNF-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.30
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one

1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one (PubChem CID 116707669) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one
PubChem CID116707669
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one
SMILESCCOC(CC)C(=O)c1cccc(C)c1C
InChIInChI=1S/C14H20O2/c1-5-13(16-6-2)14(15)12-9-7-8-10(3)11(12)4/h7-9,13H,5-6H2,1-4H3
InChIKeyCIRWDSZTAJTZNF-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-ethoxybutan-1-one
CID 116707435
2-ethoxy-1-quinolin-5-ylbutan-1-one
CID 116707471
2-ethoxy-1-(2-methylthiophen-3-yl)butan-1-one
CID 102831100
(2R)-3-(2,6-dimethylphenyl)-2-ethoxypropanoic acid
CID 100528176
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one
CID 116567259
2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
CID 116574492
3-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
CID 116596230
(2S)-2-amino-1-(2,3-dimethylphenyl)-3-methylbutan-1-one
CID 175812414
2-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 116707614
1-(3-chloro-4-methylphenyl)-2-ethoxybutan-1-one
CID 107559945
1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586829

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one (CID 116707669) is 1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one is CCOC(CC)C(=O)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one?
The InChIKey is CIRWDSZTAJTZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-13(16-6-2)14(15)12-9-7-8-10(3)11(12)4/h7-9,13H,5-6H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one?
1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one is sourced from PubChem (CID 116707669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).