2-chloro-1,3-diethylbenzene

C10H13Cl — CID 18690515

IUPAC2-chloro-1,3-diethylbenzene
SMILESCCc1cccc(CC)c1Cl
InChIInChI=1S/C10H13Cl/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3
InChIKeyMETJMKLKGUXIGZ-UHFFFAOYSA-N
MW168.67 g/mol
LogP3.46
Rot. Bonds2

About 2-chloro-1,3-diethylbenzene

2-chloro-1,3-diethylbenzene (PubChem CID 18690515) has the molecular formula C10H13Cl and a molecular weight of 168.67 g/mol. Its IUPAC name is 2-chloro-1,3-diethylbenzene.

Molecular Properties

Compound Name2-chloro-1,3-diethylbenzene
PubChem CID18690515
Molecular FormulaC10H13Cl
Molecular Weight168.67 g/mol
Exact Mass168.07
IUPAC Name2-chloro-1,3-diethylbenzene
SMILESCCc1cccc(CC)c1Cl
InChIInChI=1S/C10H13Cl/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3
InChIKeyMETJMKLKGUXIGZ-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.67
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-diethylbenzene?
The IUPAC name of 2-chloro-1,3-diethylbenzene (CID 18690515) is 2-chloro-1,3-diethylbenzene.
What is the SMILES notation for 2-chloro-1,3-diethylbenzene?
The canonical SMILES for 2-chloro-1,3-diethylbenzene is CCc1cccc(CC)c1Cl.
What is the InChIKey of 2-chloro-1,3-diethylbenzene?
The InChIKey is METJMKLKGUXIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-chloro-1,3-diethylbenzene?
2-chloro-1,3-diethylbenzene has a molecular weight of 168.67 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-diethylbenzene is sourced from PubChem (CID 18690515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).