1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene

C19H23BrO3 — CID 2285698

IUPAC1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene
SMILESCCOc1ccccc1OCCCOc1cc(C)c(C)cc1Br
InChIInChI=1S/C19H23BrO3/c1-4-21-17-8-5-6-9-18(17)22-10-7-11-23-19-13-15(3)14(2)12-16(19)20/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3
InChIKeyXQUOJSASVWRYGZ-UHFFFAOYSA-N
MW379.29 g/mol
LogP5.31
Rot. Bonds8

About 1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene

1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene (PubChem CID 2285698) has the molecular formula C19H23BrO3 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene
PubChem CID2285698
Molecular FormulaC19H23BrO3
Molecular Weight379.29 g/mol
Exact Mass378.08
IUPAC Name1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene
SMILESCCOc1ccccc1OCCCOc1cc(C)c(C)cc1Br
InChIInChI=1S/C19H23BrO3/c1-4-21-17-8-5-6-9-18(17)22-10-7-11-23-19-13-15(3)14(2)12-16(19)20/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3
InChIKeyXQUOJSASVWRYGZ-UHFFFAOYSA-N
XLogP5.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 55.31
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

2-bromo-1-[3-(2-methoxyphenoxy)propoxy]-4-methylbenzene
CID 2899283
[2-[(2-bromo-4,5-dimethylphenoxy)methyl]-3-ethoxyphenyl] propanoate
CID 122646090
6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride
CID 164512453
2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline
CID 107635868
N-[[3-bromo-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20985545
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
3-bromo-4-(2-ethoxyphenoxy)benzoic acid
CID 82800711
(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
CID 81467462
4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
CID 2251577
1-[3-(2-ethoxyphenoxy)propoxy]-4-methyl-2-nitrobenzene
CID 2285595
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 114230687

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene?
The IUPAC name of 1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene (CID 2285698) is 1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene?
The canonical SMILES for 1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene is CCOc1ccccc1OCCCOc1cc(C)c(C)cc1Br.
What is the InChIKey of 1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene?
The InChIKey is XQUOJSASVWRYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO3/c1-4-21-17-8-5-6-9-18(17)22-10-7-11-23-19-13-15(3)14(2)12-16(19)20/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3.
What are the key properties of 1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene?
1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene has a molecular weight of 379.29 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene is sourced from PubChem (CID 2285698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).