2-(5-chloropentoxy)ethoxybenzene

C13H19ClO2 — CID 43348433

IUPAC2-(5-chloropentoxy)ethoxybenzene
SMILESClCCCCCOCCOc1ccccc1
InChIInChI=1S/C13H19ClO2/c14-9-5-2-6-10-15-11-12-16-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyNKDZEBIQSFQYPI-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.49
Rot. Bonds9

About 2-(5-chloropentoxy)ethoxybenzene

2-(5-chloropentoxy)ethoxybenzene (PubChem CID 43348433) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(5-chloropentoxy)ethoxybenzene.

Molecular Properties

Compound Name2-(5-chloropentoxy)ethoxybenzene
PubChem CID43348433
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name2-(5-chloropentoxy)ethoxybenzene
SMILESClCCCCCOCCOc1ccccc1
InChIInChI=1S/C13H19ClO2/c14-9-5-2-6-10-15-11-12-16-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyNKDZEBIQSFQYPI-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.49
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'}

Analyze 2-(5-chloropentoxy)ethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloropropoxy)ethoxybenzene
CID 24689326
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
2-pentoxyethoxybenzene
CID 54431229
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
2-(3-bromopropoxy)ethoxybenzene
CID 43135436
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine
CID 176854960
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropentoxy)ethoxybenzene?
The IUPAC name of 2-(5-chloropentoxy)ethoxybenzene (CID 43348433) is 2-(5-chloropentoxy)ethoxybenzene.
What is the SMILES notation for 2-(5-chloropentoxy)ethoxybenzene?
The canonical SMILES for 2-(5-chloropentoxy)ethoxybenzene is ClCCCCCOCCOc1ccccc1.
What is the InChIKey of 2-(5-chloropentoxy)ethoxybenzene?
The InChIKey is NKDZEBIQSFQYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c14-9-5-2-6-10-15-11-12-16-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2.
What are the key properties of 2-(5-chloropentoxy)ethoxybenzene?
2-(5-chloropentoxy)ethoxybenzene has a molecular weight of 242.75 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropentoxy)ethoxybenzene is sourced from PubChem (CID 43348433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).