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

C15H22O4 — CID 83225136

IUPAC1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one
SMILESCCCC(=O)C(OCC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H22O4/c1-5-7-14(16)15(19-6-2)11-8-12(17-3)10-13(9-11)18-4/h8-10,15H,5-7H2,1-4H3
InChIKeyNEYJVMNGEUZTHS-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.15
Rot. Bonds8

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

1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one (PubChem CID 83225136) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one
PubChem CID83225136
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one
SMILESCCCC(=O)C(OCC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H22O4/c1-5-7-14(16)15(19-6-2)11-8-12(17-3)10-13(9-11)18-4/h8-10,15H,5-7H2,1-4H3
InChIKeyNEYJVMNGEUZTHS-UHFFFAOYSA-N
XLogP3.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one
CID 83226663
1-(3,4-difluorophenyl)-1-ethoxypentan-2-one
CID 83226108
1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707577
1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one
CID 83226465
2-(3-methoxyphenyl)hexan-3-one
CID 83047977
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one
CID 83225657
1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one
CID 83226336
1-ethoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-one
CID 116751593
ethyl (2S)-3-acetyloxy-2-(3,5-dimethoxyphenyl)propanoate
CID 101354731
4-(3-methoxyphenyl)-3-methyloctane-2,5-dione
CID 70564422
1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one
CID 83226219

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one (CID 83225136) is 1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one is CCCC(=O)C(OCC)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one?
The InChIKey is NEYJVMNGEUZTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-7-14(16)15(19-6-2)11-8-12(17-3)10-13(9-11)18-4/h8-10,15H,5-7H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one?
1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.15, 8 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-ethoxypentan-2-one is sourced from PubChem (CID 83225136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).