1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one

C14H20O4 — CID 83226663

IUPAC1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one
SMILESCCOC(C(=O)CC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20O4/c1-5-13(15)14(18-6-2)10-7-11(16-3)9-12(8-10)17-4/h7-9,14H,5-6H2,1-4H3
InChIKeyCHBCFZGLYCQYFN-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.76
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one

1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one (PubChem CID 83226663) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one
PubChem CID83226663
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one
SMILESCCOC(C(=O)CC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20O4/c1-5-13(15)14(18-6-2)10-7-11(16-3)9-12(8-10)17-4/h7-9,14H,5-6H2,1-4H3
InChIKeyCHBCFZGLYCQYFN-UHFFFAOYSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one
CID 83225136
1-(4-tert-butylphenyl)-1-ethoxybutan-2-one
CID 83225500
1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707577
1-ethoxy-1-(3-fluoro-4-methylphenyl)butan-2-one
CID 83226776
1-(3-bromo-4-chlorophenyl)-1-ethoxybutan-2-one
CID 83241747
1-ethoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-one
CID 116751593
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one
CID 116751795
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
ethyl (2S)-3-acetyloxy-2-(3,5-dimethoxyphenyl)propanoate
CID 101354731
[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate
CID 10319264
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one (CID 83226663) is 1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one is CCOC(C(=O)CC)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one?
The InChIKey is CHBCFZGLYCQYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-13(15)14(18-6-2)10-7-11(16-3)9-12(8-10)17-4/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one?
1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one has a molecular weight of 252.31 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one is sourced from PubChem (CID 83226663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).