3-chloro-1-ethyl-2,4-dimethylbenzene

C10H13Cl — CID 141381436

IUPAC3-chloro-1-ethyl-2,4-dimethylbenzene
SMILESCCc1ccc(C)c(Cl)c1C
InChIInChI=1S/C10H13Cl/c1-4-9-6-5-7(2)10(11)8(9)3/h5-6H,4H2,1-3H3
InChIKeyPUDDVORAHQVBQZ-UHFFFAOYSA-N
MW168.67 g/mol
LogP3.52
Rot. Bonds1

About 3-chloro-1-ethyl-2,4-dimethylbenzene

3-chloro-1-ethyl-2,4-dimethylbenzene (PubChem CID 141381436) has the molecular formula C10H13Cl and a molecular weight of 168.67 g/mol. Its IUPAC name is 3-chloro-1-ethyl-2,4-dimethylbenzene.

Molecular Properties

Compound Name3-chloro-1-ethyl-2,4-dimethylbenzene
PubChem CID141381436
Molecular FormulaC10H13Cl
Molecular Weight168.67 g/mol
Exact Mass168.07
IUPAC Name3-chloro-1-ethyl-2,4-dimethylbenzene
SMILESCCc1ccc(C)c(Cl)c1C
InChIInChI=1S/C10H13Cl/c1-4-9-6-5-7(2)10(11)8(9)3/h5-6H,4H2,1-3H3
InChIKeyPUDDVORAHQVBQZ-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.67
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethyl-2,4-dimethylbenzene?
The IUPAC name of 3-chloro-1-ethyl-2,4-dimethylbenzene (CID 141381436) is 3-chloro-1-ethyl-2,4-dimethylbenzene.
What is the SMILES notation for 3-chloro-1-ethyl-2,4-dimethylbenzene?
The canonical SMILES for 3-chloro-1-ethyl-2,4-dimethylbenzene is CCc1ccc(C)c(Cl)c1C.
What is the InChIKey of 3-chloro-1-ethyl-2,4-dimethylbenzene?
The InChIKey is PUDDVORAHQVBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl/c1-4-9-6-5-7(2)10(11)8(9)3/h5-6H,4H2,1-3H3.
What are the key properties of 3-chloro-1-ethyl-2,4-dimethylbenzene?
3-chloro-1-ethyl-2,4-dimethylbenzene has a molecular weight of 168.67 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethyl-2,4-dimethylbenzene is sourced from PubChem (CID 141381436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).