6-(2-methoxy-4-methylphenoxy)hexan-2-one

C14H20O3 — CID 43793668

IUPAC6-(2-methoxy-4-methylphenoxy)hexan-2-one
SMILESCOc1cc(C)ccc1OCCCCC(C)=O
InChIInChI=1S/C14H20O3/c1-11-7-8-13(14(10-11)16-3)17-9-5-4-6-12(2)15/h7-8,10H,4-6,9H2,1-3H3
InChIKeyFYIOUGFECLOCGO-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.14
Rot. Bonds7

About 6-(2-methoxy-4-methylphenoxy)hexan-2-one

6-(2-methoxy-4-methylphenoxy)hexan-2-one (PubChem CID 43793668) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-(2-methoxy-4-methylphenoxy)hexan-2-one.

Molecular Properties

Compound Name6-(2-methoxy-4-methylphenoxy)hexan-2-one
PubChem CID43793668
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name6-(2-methoxy-4-methylphenoxy)hexan-2-one
SMILESCOc1cc(C)ccc1OCCCCC(C)=O
InChIInChI=1S/C14H20O3/c1-11-7-8-13(14(10-11)16-3)17-9-5-4-6-12(2)15/h7-8,10H,4-6,9H2,1-3H3
InChIKeyFYIOUGFECLOCGO-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2-methoxy-4-methylphenoxy)hexan-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

6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone
CID 2899242
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
4-(2-methoxy-4-methylphenoxy)butanimidamide
CID 24691030
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
CID 2899565
2-[4-(2-methoxy-4-methylphenoxy)butoxy]-1,3,4-trimethylbenzene
CID 2285808
1-[4-[2-(2-methoxy-4-methylphenoxy)ethylsulfanyl]phenyl]ethanone
CID 94780517

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-methylphenoxy)hexan-2-one?
The IUPAC name of 6-(2-methoxy-4-methylphenoxy)hexan-2-one (CID 43793668) is 6-(2-methoxy-4-methylphenoxy)hexan-2-one.
What is the SMILES notation for 6-(2-methoxy-4-methylphenoxy)hexan-2-one?
The canonical SMILES for 6-(2-methoxy-4-methylphenoxy)hexan-2-one is COc1cc(C)ccc1OCCCCC(C)=O.
What is the InChIKey of 6-(2-methoxy-4-methylphenoxy)hexan-2-one?
The InChIKey is FYIOUGFECLOCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11-7-8-13(14(10-11)16-3)17-9-5-4-6-12(2)15/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 6-(2-methoxy-4-methylphenoxy)hexan-2-one?
6-(2-methoxy-4-methylphenoxy)hexan-2-one has a molecular weight of 236.31 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4-methylphenoxy)hexan-2-one is sourced from PubChem (CID 43793668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).