2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene

C13H19BrO3 — CID 103409894

IUPAC2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
SMILESCOCCOCCCOc1ccc(C)cc1Br
InChIInChI=1S/C13H19BrO3/c1-11-4-5-13(12(14)10-11)17-7-3-6-16-9-8-15-2/h4-5,10H,3,6-9H2,1-2H3
InChIKeyVAEWVBGHOPNZEB-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.19
Rot. Bonds8

About 2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene

2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene (PubChem CID 103409894) has the molecular formula C13H19BrO3 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
PubChem CID103409894
Molecular FormulaC13H19BrO3
Molecular Weight303.20 g/mol
Exact Mass302.05
IUPAC Name2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
SMILESCOCCOCCCOc1ccc(C)cc1Br
InChIInChI=1S/C13H19BrO3/c1-11-4-5-13(12(14)10-11)17-7-3-6-16-9-8-15-2/h4-5,10H,3,6-9H2,1-2H3
InChIKeyVAEWVBGHOPNZEB-UHFFFAOYSA-N
XLogP3.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.19
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-methoxypropoxy)-4-methylbenzene
CID 60778653
2-bromo-4-methyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 54961869
2-bromo-4-methyl-1-(2-propoxyethoxy)benzene
CID 106452978
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
2-bromo-1-[3-(2-methoxyphenoxy)propoxy]-4-methylbenzene
CID 2899283
4-(2-bromo-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2296576
5-bromo-4-[3-(2-methoxyethoxy)propoxy]-2-methylaniline
CID 114048423
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
2-bromo-4-methyl-1-(3-phenoxypropoxy)benzene
CID 55027204

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene?
The IUPAC name of 2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene (CID 103409894) is 2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene.
What is the SMILES notation for 2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene?
The canonical SMILES for 2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene is COCCOCCCOc1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene?
The InChIKey is VAEWVBGHOPNZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3/c1-11-4-5-13(12(14)10-11)17-7-3-6-16-9-8-15-2/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene?
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene has a molecular weight of 303.20 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene is sourced from PubChem (CID 103409894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).