1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one

C14H20O2 — CID 103446937

IUPAC1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one
SMILESCCC(O)(CC)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H20O2/c1-5-14(16,6-2)13(15)12-8-7-10(3)11(4)9-12/h7-9,16H,5-6H2,1-4H3
InChIKeyIATHIBZXSBHXRD-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.04
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one

1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one (PubChem CID 103446937) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one
PubChem CID103446937
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one
SMILESCCC(O)(CC)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H20O2/c1-5-14(16,6-2)13(15)12-8-7-10(3)11(4)9-12/h7-9,16H,5-6H2,1-4H3
InChIKeyIATHIBZXSBHXRD-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(3-fluoro-4-methylphenyl)-2-hydroxybutan-1-one
CID 107128454
2-amino-1-(3,4-dimethylphenyl)-2-ethylbutan-1-one
CID 116592692
2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethanone
CID 91636142
1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone
CID 135086680
1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800582
2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one
CID 103446963
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
1-(3,4-dimethylphenyl)-3-ethoxypropan-1-one
CID 105093547
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
3,4-dimethylbenzoyl chloride;methane
CID 155746404
1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one (CID 103446937) is 1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one is CCC(O)(CC)C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one?
The InChIKey is IATHIBZXSBHXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-14(16,6-2)13(15)12-8-7-10(3)11(4)9-12/h7-9,16H,5-6H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one?
1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one is sourced from PubChem (CID 103446937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).