2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene

C13H19ClO2 — CID 139711879

IUPAC2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene
SMILESCOCCc1cc(C)c(OCCCl)c(C)c1
InChIInChI=1S/C13H19ClO2/c1-10-8-12(4-6-15-3)9-11(2)13(10)16-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyHMTJMJZODWPLRA-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.11
Rot. Bonds6

About 2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene

2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene (PubChem CID 139711879) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene
PubChem CID139711879
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene
SMILESCOCCc1cc(C)c(OCCCl)c(C)c1
InChIInChI=1S/C13H19ClO2/c1-10-8-12(4-6-15-3)9-11(2)13(10)16-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyHMTJMJZODWPLRA-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene?
The IUPAC name of 2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene (CID 139711879) is 2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene.
What is the SMILES notation for 2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene?
The canonical SMILES for 2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene is COCCc1cc(C)c(OCCCl)c(C)c1.
What is the InChIKey of 2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene?
The InChIKey is HMTJMJZODWPLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-10-8-12(4-6-15-3)9-11(2)13(10)16-7-5-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene?
2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene has a molecular weight of 242.75 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-5-(2-methoxyethyl)-1,3-dimethylbenzene is sourced from PubChem (CID 139711879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).