1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one

C14H20O4 — CID 103446903

IUPAC1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one
SMILESCCC(O)(CC)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H20O4/c1-5-14(16,6-2)13(15)11-8-7-10(17-3)9-12(11)18-4/h7-9,16H,5-6H2,1-4H3
InChIKeyYIJMDGGHTWCGSJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.44
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one

1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one (PubChem CID 103446903) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one
PubChem CID103446903
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one
SMILESCCC(O)(CC)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H20O4/c1-5-14(16,6-2)13(15)11-8-7-10(17-3)9-12(11)18-4/h7-9,16H,5-6H2,1-4H3
InChIKeyYIJMDGGHTWCGSJ-UHFFFAOYSA-N
XLogP2.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-(2,4-dimethoxyphenyl)-2,2-dimethylpropan-1-one
CID 146006279
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
CID 65114811
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
1-(2,4-dimethoxyphenyl)-2-ethylbutan-1-one
CID 114971207
2,4-dimethoxybenzoate
CID 6947027
1-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
CID 146006273
1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one
CID 63084833
2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79814147
tert-butyl 2,4-dimethoxybenzoate
CID 63897355
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
(E)-1-(2,4-dimethoxyphenyl)pent-2-en-1-one
CID 103454091

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one (CID 103446903) is 1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one is CCC(O)(CC)C(=O)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one?
The InChIKey is YIJMDGGHTWCGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-14(16,6-2)13(15)11-8-7-10(17-3)9-12(11)18-4/h7-9,16H,5-6H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one?
1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one has a molecular weight of 252.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one is sourced from PubChem (CID 103446903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).