1,3-dichloro-5-methylbenzene;toluene

C14H14Cl2 — CID 143933195

IUPAC1,3-dichloro-5-methylbenzene;toluene
SMILESCc1cc(Cl)cc(Cl)c1.Cc1ccccc1
InChIInChI=1S/C7H6Cl2.C7H8/c1-5-2-6(8)4-7(9)3-5;1-7-5-3-2-4-6-7/h2-4H,1H3;2-6H,1H3
InChIKeyZGWQPXGUYAERQN-UHFFFAOYSA-N
MW253.17 g/mol
LogP5.30
Rot. Bonds

About 1,3-dichloro-5-methylbenzene;toluene

1,3-dichloro-5-methylbenzene;toluene (PubChem CID 143933195) has the molecular formula C14H14Cl2 and a molecular weight of 253.17 g/mol. Its IUPAC name is 1,3-dichloro-5-methylbenzene;toluene.

Molecular Properties

Compound Name1,3-dichloro-5-methylbenzene;toluene
PubChem CID143933195
Molecular FormulaC14H14Cl2
Molecular Weight253.17 g/mol
Exact Mass252.05
IUPAC Name1,3-dichloro-5-methylbenzene;toluene
SMILESCc1cc(Cl)cc(Cl)c1.Cc1ccccc1
InChIInChI=1S/C7H6Cl2.C7H8/c1-5-2-6(8)4-7(9)3-5;1-7-5-3-2-4-6-7/h2-4H,1H3;2-6H,1H3
InChIKeyZGWQPXGUYAERQN-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.17
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3,5-dimethylbenzene;phenol
CID 158089638
chlorobenzene;1,3,5-trimethylbenzene
CID 160520225
1-chloro-3-methyl-5-phenylbenzene;ethane
CID 143782366
chloromethane;toluene
CID 178022822
titanium(2+);toluene
CID 22023820
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
1-chloro-4-methylbenzene;ethane;toluene
CID 159482529
chlorobenzene;propane;toluene
CID 145259761
chloromethane;toluene;dihydrochloride
CID 174689155
aluminum toluene
CID 21283935
gold;toluene
CID 159315944

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-methylbenzene;toluene?
The IUPAC name of 1,3-dichloro-5-methylbenzene;toluene (CID 143933195) is 1,3-dichloro-5-methylbenzene;toluene.
What is the SMILES notation for 1,3-dichloro-5-methylbenzene;toluene?
The canonical SMILES for 1,3-dichloro-5-methylbenzene;toluene is Cc1cc(Cl)cc(Cl)c1.Cc1ccccc1.
What is the InChIKey of 1,3-dichloro-5-methylbenzene;toluene?
The InChIKey is ZGWQPXGUYAERQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2.C7H8/c1-5-2-6(8)4-7(9)3-5;1-7-5-3-2-4-6-7/h2-4H,1H3;2-6H,1H3.
What are the key properties of 1,3-dichloro-5-methylbenzene;toluene?
1,3-dichloro-5-methylbenzene;toluene has a molecular weight of 253.17 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-methylbenzene;toluene is sourced from PubChem (CID 143933195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).