1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone

C20H24O4 — CID 2899242

IUPAC1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone
SMILESCOc1cc(C)ccc1OCCCCOc1ccccc1C(C)=O
InChIInChI=1S/C20H24O4/c1-15-10-11-19(20(14-15)22-3)24-13-7-6-12-23-18-9-5-4-8-17(18)16(2)21/h4-5,8-11,14H,6-7,12-13H2,1-3H3
InChIKeyGSYLJBMVIWANLI-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.44
Rot. Bonds9

About 1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone

1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone (PubChem CID 2899242) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone
PubChem CID2899242
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone
SMILESCOc1cc(C)ccc1OCCCCOc1ccccc1C(C)=O
InChIInChI=1S/C20H24O4/c1-15-10-11-19(20(14-15)22-3)24-13-7-6-12-23-18-9-5-4-8-17(18)16(2)21/h4-5,8-11,14H,6-7,12-13H2,1-3H3
InChIKeyGSYLJBMVIWANLI-UHFFFAOYSA-N
XLogP4.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxy-4-methylphenoxy)hexan-2-one
CID 43793668
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
CID 2899565
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
3-[4-[3-(2-acetylphenoxy)propoxy]-3-methoxyphenyl]-2-methoxypropanoic acid
CID 18443275
1-(2-hexoxy-4-methylphenyl)ethanone
CID 60778715
1-[2-(4-bromobutoxy)-5-methylphenyl]ethanone
CID 43504846
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
CID 115994697
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
1-[2-[2-(2,4-dimethylphenyl)sulfanylethoxy]phenyl]ethanone
CID 43413802

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone (CID 2899242) is 1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone is COc1cc(C)ccc1OCCCCOc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone?
The InChIKey is GSYLJBMVIWANLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-15-10-11-19(20(14-15)22-3)24-13-7-6-12-23-18-9-5-4-8-17(18)16(2)21/h4-5,8-11,14H,6-7,12-13H2,1-3H3.
What are the key properties of 1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone?
1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone has a molecular weight of 328.41 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone is sourced from PubChem (CID 2899242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).