1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one

C12H16O3 — CID 26422

IUPAC1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)C)cc1OC
InChIInChI=1S/C12H16O3/c1-8(2)12(13)9-5-6-10(14-3)11(7-9)15-4/h5-8H,1-4H3
InChIKeyFGVRUUHJVIWSEN-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.54
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one

1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one (PubChem CID 26422) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
PubChem CID26422
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)C)cc1OC
InChIInChI=1S/C12H16O3/c1-8(2)12(13)9-5-6-10(14-3)11(7-9)15-4/h5-8H,1-4H3
InChIKeyFGVRUUHJVIWSEN-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid
CID 154135736
3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
1-(3,4-dimethoxyphenyl)-3-methylbutane-1,2-dione
CID 94686678
(2S)-3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanenitrile
CID 34957180
2-bromo-1-(3,4-dimethoxyphenyl)-2-methoxyethanone
CID 19388505
2-bromo-1-(3,4-dimethoxyphenyl)-2-fluoroethanone
CID 57154420
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one
CID 146008941
1-(3-methoxy-4-nitrophenyl)-2-methylpropan-1-one
CID 83969059
[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate
CID 54123308
2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 82100905
3,4-dimethoxybenzoic acid;methanol
CID 144580050
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 46307410

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one (CID 26422) is 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one is COc1ccc(C(=O)C(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one?
The InChIKey is FGVRUUHJVIWSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)12(13)9-5-6-10(14-3)11(7-9)15-4/h5-8H,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one?
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one has a molecular weight of 208.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 26422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).