1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane

C17H20Cl4 — CID 158320021

IUPAC1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane
SMILESC.CCc1c(Cl)cccc1Cl.CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/2C8H8Cl2.CH4/c1-2-6-3-4-7(9)8(10)5-6;1-2-6-7(9)4-3-5-8(6)10;/h2*3-5H,2H2,1H3;1H4
InChIKeyGOSRLGRUFPMJBT-UHFFFAOYSA-N
MW366.16 g/mol
LogP7.75
Rot. Bonds2

About 1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane

1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane (PubChem CID 158320021) has the molecular formula C17H20Cl4 and a molecular weight of 366.16 g/mol. Its IUPAC name is 1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane.

Molecular Properties

Compound Name1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane
PubChem CID158320021
Molecular FormulaC17H20Cl4
Molecular Weight366.16 g/mol
Exact Mass364.03
IUPAC Name1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane
SMILESC.CCc1c(Cl)cccc1Cl.CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/2C8H8Cl2.CH4/c1-2-6-3-4-7(9)8(10)5-6;1-2-6-7(9)4-3-5-8(6)10;/h2*3-5H,2H2,1H3;1H4
InChIKeyGOSRLGRUFPMJBT-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.16
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane?
The IUPAC name of 1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane (CID 158320021) is 1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane.
What is the SMILES notation for 1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane?
The canonical SMILES for 1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane is C.CCc1c(Cl)cccc1Cl.CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane?
The InChIKey is GOSRLGRUFPMJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8Cl2.CH4/c1-2-6-3-4-7(9)8(10)5-6;1-2-6-7(9)4-3-5-8(6)10;/h2*3-5H,2H2,1H3;1H4.
What are the key properties of 1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane?
1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane has a molecular weight of 366.16 g/mol, XLogP of 7.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane is sourced from PubChem (CID 158320021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).