5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one

C14H20O3 — CID 116927802

IUPAC5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
SMILESCOc1cc(C)c(CCCC(C)=O)c(OC)c1
InChIInChI=1S/C14H20O3/c1-10-8-12(16-3)9-14(17-4)13(10)7-5-6-11(2)15/h8-9H,5-7H2,1-4H3
InChIKeyDSVTXUNIUOIKON-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.92
Rot. Bonds6

About 5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one

5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one (PubChem CID 116927802) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
PubChem CID116927802
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
SMILESCOc1cc(C)c(CCCC(C)=O)c(OC)c1
InChIInChI=1S/C14H20O3/c1-10-8-12(16-3)9-14(17-4)13(10)7-5-6-11(2)15/h8-9H,5-7H2,1-4H3
InChIKeyDSVTXUNIUOIKON-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

Analyze 5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one
CID 115236702
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751
N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
5-amino-5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116940763
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
4-(2,4-dimethoxy-6-sulfophenyl)butanoic acid
CID 141206938
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-one
CID 83937456
methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
CID 116927600
5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one
CID 142193890

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one?
The IUPAC name of 5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one (CID 116927802) is 5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one.
What is the SMILES notation for 5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one?
The canonical SMILES for 5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one is COc1cc(C)c(CCCC(C)=O)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one?
The InChIKey is DSVTXUNIUOIKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-8-12(16-3)9-14(17-4)13(10)7-5-6-11(2)15/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one?
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one 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 5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one is sourced from PubChem (CID 116927802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).