2-(3-chloropropoxy)ethoxybenzene

C11H15ClO2 — CID 24689326

IUPAC2-(3-chloropropoxy)ethoxybenzene
SMILESClCCCOCCOc1ccccc1
InChIInChI=1S/C11H15ClO2/c12-7-4-8-13-9-10-14-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyIESAUKCUEARPPG-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.71
Rot. Bonds7

About 2-(3-chloropropoxy)ethoxybenzene

2-(3-chloropropoxy)ethoxybenzene (PubChem CID 24689326) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-(3-chloropropoxy)ethoxybenzene.

Molecular Properties

Compound Name2-(3-chloropropoxy)ethoxybenzene
PubChem CID24689326
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name2-(3-chloropropoxy)ethoxybenzene
SMILESClCCCOCCOc1ccccc1
InChIInChI=1S/C11H15ClO2/c12-7-4-8-13-9-10-14-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyIESAUKCUEARPPG-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.71
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

2-(5-chloropentoxy)ethoxybenzene
CID 43348433
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-(3-bromopropoxy)ethoxybenzene
CID 43135436
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
2-pentoxyethoxybenzene
CID 54431229
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
1-chloro-3-(3-chloropropoxy)propane;fluorobenzene
CID 73011380
2-(2-phenoxyethoxy)ethanol
CID 7715
1,4-bis(3-chloropropoxy)benzene
CID 20523958

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropoxy)ethoxybenzene?
The IUPAC name of 2-(3-chloropropoxy)ethoxybenzene (CID 24689326) is 2-(3-chloropropoxy)ethoxybenzene.
What is the SMILES notation for 2-(3-chloropropoxy)ethoxybenzene?
The canonical SMILES for 2-(3-chloropropoxy)ethoxybenzene is ClCCCOCCOc1ccccc1.
What is the InChIKey of 2-(3-chloropropoxy)ethoxybenzene?
The InChIKey is IESAUKCUEARPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/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-chloropropoxy)ethoxybenzene?
2-(3-chloropropoxy)ethoxybenzene has a molecular weight of 214.69 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropoxy)ethoxybenzene is sourced from PubChem (CID 24689326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).