2-(chloromethoxy)ethylbenzene

C9H11ClO — CID 14640434

IUPAC2-(chloromethoxy)ethylbenzene
SMILESClCOCCc1ccccc1
InChIInChI=1S/C9H11ClO/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyHREKPKYGDPTADZ-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.44
Rot. Bonds4

About 2-(chloromethoxy)ethylbenzene

2-(chloromethoxy)ethylbenzene (PubChem CID 14640434) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-(chloromethoxy)ethylbenzene.

Molecular Properties

Compound Name2-(chloromethoxy)ethylbenzene
PubChem CID14640434
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name2-(chloromethoxy)ethylbenzene
SMILESClCOCCc1ccccc1
InChIInChI=1S/C9H11ClO/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyHREKPKYGDPTADZ-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethoxy)ethylbenzene?
The IUPAC name of 2-(chloromethoxy)ethylbenzene (CID 14640434) is 2-(chloromethoxy)ethylbenzene.
What is the SMILES notation for 2-(chloromethoxy)ethylbenzene?
The canonical SMILES for 2-(chloromethoxy)ethylbenzene is ClCOCCc1ccccc1.
What is the InChIKey of 2-(chloromethoxy)ethylbenzene?
The InChIKey is HREKPKYGDPTADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-(chloromethoxy)ethylbenzene?
2-(chloromethoxy)ethylbenzene has a molecular weight of 170.64 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)ethylbenzene is sourced from PubChem (CID 14640434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).