2-(1-chloroethoxy)ethylbenzene

C10H13ClO — CID 68828347

IUPAC2-(1-chloroethoxy)ethylbenzene
SMILESCC(Cl)OCCc1ccccc1
InChIInChI=1S/C10H13ClO/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyHKPBAWZSLRAOHE-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.83
Rot. Bonds4

About 2-(1-chloroethoxy)ethylbenzene

2-(1-chloroethoxy)ethylbenzene (PubChem CID 68828347) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-(1-chloroethoxy)ethylbenzene.

Molecular Properties

Compound Name2-(1-chloroethoxy)ethylbenzene
PubChem CID68828347
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name2-(1-chloroethoxy)ethylbenzene
SMILESCC(Cl)OCCc1ccccc1
InChIInChI=1S/C10H13ClO/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyHKPBAWZSLRAOHE-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethoxy)ethylbenzene?
The IUPAC name of 2-(1-chloroethoxy)ethylbenzene (CID 68828347) is 2-(1-chloroethoxy)ethylbenzene.
What is the SMILES notation for 2-(1-chloroethoxy)ethylbenzene?
The canonical SMILES for 2-(1-chloroethoxy)ethylbenzene is CC(Cl)OCCc1ccccc1.
What is the InChIKey of 2-(1-chloroethoxy)ethylbenzene?
The InChIKey is HKPBAWZSLRAOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 2-(1-chloroethoxy)ethylbenzene?
2-(1-chloroethoxy)ethylbenzene has a molecular weight of 184.67 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethoxy)ethylbenzene is sourced from PubChem (CID 68828347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).