1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone

C14H20O3 — CID 103432888

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H20O3/c1-5-8-17-9-13(15)12-7-6-10(2)11(3)14(12)16-4/h6-7H,5,8-9H2,1-4H3
InChIKeyQAJVJKVKMNONAM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.92
Rot. Bonds6

About 1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone

1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone (PubChem CID 103432888) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
PubChem CID103432888
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H20O3/c1-5-8-17-9-13(15)12-7-6-10(2)11(3)14(12)16-4/h6-7H,5,8-9H2,1-4H3
InChIKeyQAJVJKVKMNONAM-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)heptan-1-one
CID 103435068
1-(4-methoxy-2-methylphenyl)-2-propoxyethanone
CID 65313550
1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103433078
1-(5-fluoro-2-methylphenyl)-2-propoxyethanone
CID 62791964
1-(2-chloro-3-methylphenyl)-2-propoxyethanone
CID 115783219
2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103434857
6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one
CID 103434856
1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone
CID 103434889
1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one
CID 103434986
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 103433056
2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103433037
2-(dimethylamino)-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 103432971

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone (CID 103432888) is 1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone is CCCOCC(=O)c1ccc(C)c(C)c1OC.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone?
The InChIKey is QAJVJKVKMNONAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-8-17-9-13(15)12-7-6-10(2)11(3)14(12)16-4/h6-7H,5,8-9H2,1-4H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone?
1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone has a molecular weight of 236.31 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone is sourced from PubChem (CID 103432888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).