1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C14H20O4 — CID 105094334

IUPAC1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCOc1ccc(C(=O)COC(C)(C)C)cc1OC
InChIInChI=1S/C14H20O4/c1-14(2,3)18-9-11(15)10-6-7-12(16-4)13(8-10)17-5/h6-8H,9H2,1-5H3
InChIKeyVMEHGEYAJLBKDQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.70
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 105094334) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID105094334
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCOc1ccc(C(=O)COC(C)(C)C)cc1OC
InChIInChI=1S/C14H20O4/c1-14(2,3)18-9-11(15)10-6-7-12(16-4)13(8-10)17-5/h6-8H,9H2,1-5H3
InChIKeyVMEHGEYAJLBKDQ-UHFFFAOYSA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191512
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
3,4-dimethoxybenzoic acid;methanol
CID 144580050
1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 107129938
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2537878
3-(4-tert-butylphenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 91755690
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678570
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052432

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 105094334) is 1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone is COc1ccc(C(=O)COC(C)(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is VMEHGEYAJLBKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-14(2,3)18-9-11(15)10-6-7-12(16-4)13(8-10)17-5/h6-8H,9H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 252.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 105094334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).