1-(3,4-dimethoxyphenyl)propan-1-one

C11H14O3 — CID 15781

IUPAC1-(3,4-dimethoxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7H,4H2,1-3H3
InChIKeySBMSBQOMJGZBRY-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.30
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)propan-1-one

1-(3,4-dimethoxyphenyl)propan-1-one (PubChem CID 15781) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)propan-1-one
PubChem CID15781
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(3,4-dimethoxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7H,4H2,1-3H3
InChIKeySBMSBQOMJGZBRY-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)propan-1-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)propan-1-one (CID 15781) is 1-(3,4-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)propan-1-one is CCC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)propan-1-one?
The InChIKey is SBMSBQOMJGZBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7H,4H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)propan-1-one?
1-(3,4-dimethoxyphenyl)propan-1-one has a molecular weight of 194.23 g/mol, XLogP of 2.30, 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)propan-1-one is sourced from PubChem (CID 15781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).