5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene

C19H23BrO4 — CID 2282940

IUPAC5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene
SMILESCOc1ccc(OCCOCCOc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C19H23BrO4/c1-14-12-16(20)13-15(2)19(14)24-11-9-22-8-10-23-18-6-4-17(21-3)5-7-18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyDULFBKWWKKIBPJ-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.55
Rot. Bonds9

About 5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene

5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene (PubChem CID 2282940) has the molecular formula C19H23BrO4 and a molecular weight of 395.29 g/mol. Its IUPAC name is 5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene
PubChem CID2282940
Molecular FormulaC19H23BrO4
Molecular Weight395.29 g/mol
Exact Mass394.08
IUPAC Name5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene
SMILESCOc1ccc(OCCOCCOc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C19H23BrO4/c1-14-12-16(20)13-15(2)19(14)24-11-9-22-8-10-23-18-6-4-17(21-3)5-7-18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyDULFBKWWKKIBPJ-UHFFFAOYSA-N
XLogP4.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.55
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

1-bromo-2-[2-(4-methoxyphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2283505
5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbenzoic acid
CID 112620899
3,5-dibromo-2-[2-(4-methoxyphenoxy)ethoxy]benzaldehyde
CID 28913666
5-bromo-2-[4-(4-bromo-2,6-dimethylphenoxy)butoxy]-1,3-dimethylbenzene
CID 58759064
3-bromo-5-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 103588250
5-bromo-1-(chloromethyl)-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbenzene
CID 112621295
1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
5-bromo-3-methyl-2-(2-propoxyethoxy)aniline
CID 54853076
3-(4-bromo-2,6-dimethylphenoxy)-N-methylpropan-1-amine
CID 27047233
[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]methanol
CID 112621049

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene?
The IUPAC name of 5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene (CID 2282940) is 5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene?
The canonical SMILES for 5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene is COc1ccc(OCCOCCOc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of 5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene?
The InChIKey is DULFBKWWKKIBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO4/c1-14-12-16(20)13-15(2)19(14)24-11-9-22-8-10-23-18-6-4-17(21-3)5-7-18/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene?
5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene has a molecular weight of 395.29 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 2282940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).