2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one

C14H20O3 — CID 116708118

IUPAC2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
SMILESCCCC(OC)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H20O3/c1-5-6-13(17-4)14(15)11-9-10(2)7-8-12(11)16-3/h7-9,13H,5-6H2,1-4H3
InChIKeyNIGPMBSQHZUPMT-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.00
Rot. Bonds6

About 2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one

2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one (PubChem CID 116708118) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
PubChem CID116708118
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
SMILESCCCC(OC)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H20O3/c1-5-6-13(17-4)14(15)11-9-10(2)7-8-12(11)16-3/h7-9,13H,5-6H2,1-4H3
InChIKeyNIGPMBSQHZUPMT-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-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

1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one
CID 116708023
1-(2,4-dimethylphenyl)-2-methoxypentan-1-one
CID 116708065
2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
CID 116708167
2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 103452969
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
2,3-dichloro-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 82118567
2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one
CID 116709606
2-(2-methoxy-5-methylbenzoyl)butanenitrile
CID 62503537
3-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918170
1-(2-ethoxyphenyl)-2-methoxypentan-1-one
CID 116708029
N-(2-aminopentyl)-2-methoxy-5-methylbenzamide
CID 115737842
ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
CID 142095957

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one?
The IUPAC name of 2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one (CID 116708118) is 2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one.
What is the SMILES notation for 2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one?
The canonical SMILES for 2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one is CCCC(OC)C(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one?
The InChIKey is NIGPMBSQHZUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-6-13(17-4)14(15)11-9-10(2)7-8-12(11)16-3/h7-9,13H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one?
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one is sourced from PubChem (CID 116708118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).