1,3-dichloro-2-ethylbenzene

C8H8Cl2 — CID 520631

IUPAC1,3-dichloro-2-ethylbenzene
SMILESCCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2H2,1H3
InChIKeyNUDVJQOVBFONPG-UHFFFAOYSA-N
MW175.06 g/mol
LogP3.56
Rot. Bonds1

About 1,3-dichloro-2-ethylbenzene

1,3-dichloro-2-ethylbenzene (PubChem CID 520631) has the molecular formula C8H8Cl2 and a molecular weight of 175.06 g/mol. Its IUPAC name is 1,3-dichloro-2-ethylbenzene.

Molecular Properties

Compound Name1,3-dichloro-2-ethylbenzene
PubChem CID520631
Molecular FormulaC8H8Cl2
Molecular Weight175.06 g/mol
Exact Mass174.00
IUPAC Name1,3-dichloro-2-ethylbenzene
SMILESCCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2H2,1H3
InChIKeyNUDVJQOVBFONPG-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.06
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-ethylbenzene?
The IUPAC name of 1,3-dichloro-2-ethylbenzene (CID 520631) is 1,3-dichloro-2-ethylbenzene.
What is the SMILES notation for 1,3-dichloro-2-ethylbenzene?
The canonical SMILES for 1,3-dichloro-2-ethylbenzene is CCc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-ethylbenzene?
The InChIKey is NUDVJQOVBFONPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2H2,1H3.
What are the key properties of 1,3-dichloro-2-ethylbenzene?
1,3-dichloro-2-ethylbenzene has a molecular weight of 175.06 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-ethylbenzene is sourced from PubChem (CID 520631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).