2-(3-bromopropoxy)ethoxybenzene

C11H15BrO2 — CID 43135436

IUPAC2-(3-bromopropoxy)ethoxybenzene
SMILESBrCCCOCCOc1ccccc1
InChIInChI=1S/C11H15BrO2/c12-7-4-8-13-9-10-14-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyAOHFTCRJUWVHSB-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.87
Rot. Bonds7

About 2-(3-bromopropoxy)ethoxybenzene

2-(3-bromopropoxy)ethoxybenzene (PubChem CID 43135436) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-(3-bromopropoxy)ethoxybenzene.

Molecular Properties

Compound Name2-(3-bromopropoxy)ethoxybenzene
PubChem CID43135436
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-(3-bromopropoxy)ethoxybenzene
SMILESBrCCCOCCOc1ccccc1
InChIInChI=1S/C11H15BrO2/c12-7-4-8-13-9-10-14-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyAOHFTCRJUWVHSB-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
2-pentoxyethoxybenzene
CID 54431229
2-(5-chloropentoxy)ethoxybenzene
CID 43348433
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273
2-(2-phenoxyethoxy)ethanol
CID 7715
1-(3-bromopropoxy)-4-(2-phenylethynyl)benzene
CID 102197588
ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide
CID 142386396

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropoxy)ethoxybenzene?
The IUPAC name of 2-(3-bromopropoxy)ethoxybenzene (CID 43135436) is 2-(3-bromopropoxy)ethoxybenzene.
What is the SMILES notation for 2-(3-bromopropoxy)ethoxybenzene?
The canonical SMILES for 2-(3-bromopropoxy)ethoxybenzene is BrCCCOCCOc1ccccc1.
What is the InChIKey of 2-(3-bromopropoxy)ethoxybenzene?
The InChIKey is AOHFTCRJUWVHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c12-7-4-8-13-9-10-14-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of 2-(3-bromopropoxy)ethoxybenzene?
2-(3-bromopropoxy)ethoxybenzene has a molecular weight of 259.14 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropoxy)ethoxybenzene is sourced from PubChem (CID 43135436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).