1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene

C20H25BrO4 — CID 2284072

IUPAC1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene
SMILESCOc1cc(C)ccc1OCCOCCOc1cc(C)c(C)cc1Br
InChIInChI=1S/C20H25BrO4/c1-14-5-6-18(20(11-14)22-4)24-9-7-23-8-10-25-19-13-16(3)15(2)12-17(19)21/h5-6,11-13H,7-10H2,1-4H3
InChIKeyGRDHRQZNTBOKRT-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.86
Rot. Bonds9

About 1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene

1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene (PubChem CID 2284072) has the molecular formula C20H25BrO4 and a molecular weight of 409.32 g/mol. Its IUPAC name is 1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene
PubChem CID2284072
Molecular FormulaC20H25BrO4
Molecular Weight409.32 g/mol
Exact Mass408.09
IUPAC Name1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene
SMILESCOc1cc(C)ccc1OCCOCCOc1cc(C)c(C)cc1Br
InChIInChI=1S/C20H25BrO4/c1-14-5-6-18(20(11-14)22-4)24-9-7-23-8-10-25-19-13-16(3)15(2)12-17(19)21/h5-6,11-13H,7-10H2,1-4H3
InChIKeyGRDHRQZNTBOKRT-UHFFFAOYSA-N
XLogP4.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.86
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene?
The IUPAC name of 1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene (CID 2284072) is 1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene?
The canonical SMILES for 1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene is COc1cc(C)ccc1OCCOCCOc1cc(C)c(C)cc1Br.
What is the InChIKey of 1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene?
The InChIKey is GRDHRQZNTBOKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrO4/c1-14-5-6-18(20(11-14)22-4)24-9-7-23-8-10-25-19-13-16(3)15(2)12-17(19)21/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene?
1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene has a molecular weight of 409.32 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4,5-dimethylbenzene is sourced from PubChem (CID 2284072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).