4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one

C14H20O3 — CID 115807525

IUPAC4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H20O3/c1-10-5-6-13(17-4)12(9-10)14(15)11(2)7-8-16-3/h5-6,9,11H,7-8H2,1-4H3
InChIKeyUOHZAOUHYIBAFK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.86
Rot. Bonds6

About 4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one

4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one (PubChem CID 115807525) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
PubChem CID115807525
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H20O3/c1-10-5-6-13(17-4)12(9-10)14(15)11(2)7-8-16-3/h5-6,9,11H,7-8H2,1-4H3
InChIKeyUOHZAOUHYIBAFK-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-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

6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one
CID 116574340
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
3-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918170
2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 103452969
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
2,3-dichloro-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 82118567
1-(2,5-dichlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 115807317
1-(2-amino-5-methoxyphenyl)-4-methoxy-2-methylbutan-1-one
CID 116602601
4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one
CID 116915986
ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
CID 142095957
2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one
CID 67627861
1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-one
CID 115807583

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one?
The IUPAC name of 4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one (CID 115807525) is 4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one is COCCC(C)C(=O)c1cc(C)ccc1OC.
What is the InChIKey of 4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one?
The InChIKey is UOHZAOUHYIBAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-5-6-13(17-4)12(9-10)14(15)11(2)7-8-16-3/h5-6,9,11H,7-8H2,1-4H3.
What are the key properties of 4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one?
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 115807525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).