1-(2,4-dimethoxy-5-methylphenyl)propan-2-one

C12H16O3 — CID 24721213

IUPAC1-(2,4-dimethoxy-5-methylphenyl)propan-2-one
SMILESCOc1cc(OC)c(CC(C)=O)cc1C
InChIInChI=1S/C12H16O3/c1-8-5-10(6-9(2)13)12(15-4)7-11(8)14-3/h5,7H,6H2,1-4H3
InChIKeyHMIZFCZVDPFHMP-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.14
Rot. Bonds4

About 1-(2,4-dimethoxy-5-methylphenyl)propan-2-one

1-(2,4-dimethoxy-5-methylphenyl)propan-2-one (PubChem CID 24721213) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-5-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,4-dimethoxy-5-methylphenyl)propan-2-one
PubChem CID24721213
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(2,4-dimethoxy-5-methylphenyl)propan-2-one
SMILESCOc1cc(OC)c(CC(C)=O)cc1C
InChIInChI=1S/C12H16O3/c1-8-5-10(6-9(2)13)12(15-4)7-11(8)14-3/h5,7H,6H2,1-4H3
InChIKeyHMIZFCZVDPFHMP-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxy-2,5-dimethylphenyl)methylamino]propan-2-one
CID 115234701
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-oxobutanamide
CID 115176376
6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-2-one
CID 117459128
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-one
CID 117325240
1-(4-bromo-3-methoxy-5-methylphenyl)propan-2-one
CID 84805482
1-(4-methoxy-2,5-dimethylphenyl)pentane-1,4-dione
CID 94686157
1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 83883722
1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
CID 117368520
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 84680200
3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 82291639
N-[(2,5-dimethoxy-4-methylphenyl)methyl]carbamoyl chloride
CID 115194658

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-5-methylphenyl)propan-2-one?
The IUPAC name of 1-(2,4-dimethoxy-5-methylphenyl)propan-2-one (CID 24721213) is 1-(2,4-dimethoxy-5-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2,4-dimethoxy-5-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2,4-dimethoxy-5-methylphenyl)propan-2-one is COc1cc(OC)c(CC(C)=O)cc1C.
What is the InChIKey of 1-(2,4-dimethoxy-5-methylphenyl)propan-2-one?
The InChIKey is HMIZFCZVDPFHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-5-10(6-9(2)13)12(15-4)7-11(8)14-3/h5,7H,6H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxy-5-methylphenyl)propan-2-one?
1-(2,4-dimethoxy-5-methylphenyl)propan-2-one has a molecular weight of 208.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-5-methylphenyl)propan-2-one is sourced from PubChem (CID 24721213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).