1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene

C19H24O3 — CID 2252067

IUPAC1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene
SMILESCOc1cccc(OCCCCOc2cccc(C)c2C)c1
InChIInChI=1S/C19H24O3/c1-15-8-6-11-19(16(15)2)22-13-5-4-12-21-18-10-7-9-17(14-18)20-3/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyUOQFKHILVMCGFM-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.55
Rot. Bonds8

About 1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene

1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene (PubChem CID 2252067) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene
PubChem CID2252067
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene
SMILESCOc1cccc(OCCCCOc2cccc(C)c2C)c1
InChIInChI=1S/C19H24O3/c1-15-8-6-11-19(16(15)2)22-13-5-4-12-21-18-10-7-9-17(14-18)20-3/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyUOQFKHILVMCGFM-UHFFFAOYSA-N
XLogP4.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096032
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
2-[8-(3-aminophenoxy)octoxy]-6-methylaniline
CID 153401305
3-[2-(2-methylphenoxy)ethoxy]benzaldehyde
CID 2295834

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene?
The IUPAC name of 1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene (CID 2252067) is 1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene?
The canonical SMILES for 1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene is COc1cccc(OCCCCOc2cccc(C)c2C)c1.
What is the InChIKey of 1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene?
The InChIKey is UOQFKHILVMCGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-15-8-6-11-19(16(15)2)22-13-5-4-12-21-18-10-7-9-17(14-18)20-3/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of 1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene?
1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene has a molecular weight of 300.40 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene is sourced from PubChem (CID 2252067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).