1,2-dichloro-4-methylbenzene;1,3-xylene

C15H16Cl2 — CID 158244707

IUPAC1,2-dichloro-4-methylbenzene;1,3-xylene
SMILESCc1ccc(Cl)c(Cl)c1.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C7H6Cl2/c1-7-4-3-5-8(2)6-7;1-5-2-3-6(8)7(9)4-5/h3-6H,1-2H3;2-4H,1H3
InChIKeyGFYZYOICBHKMKX-UHFFFAOYSA-N
MW267.20 g/mol
LogP5.61
Rot. Bonds

About 1,2-dichloro-4-methylbenzene;1,3-xylene

1,2-dichloro-4-methylbenzene;1,3-xylene (PubChem CID 158244707) has the molecular formula C15H16Cl2 and a molecular weight of 267.20 g/mol. Its IUPAC name is 1,2-dichloro-4-methylbenzene;1,3-xylene.

Molecular Properties

Compound Name1,2-dichloro-4-methylbenzene;1,3-xylene
PubChem CID158244707
Molecular FormulaC15H16Cl2
Molecular Weight267.20 g/mol
Exact Mass266.06
IUPAC Name1,2-dichloro-4-methylbenzene;1,3-xylene
SMILESCc1ccc(Cl)c(Cl)c1.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C7H6Cl2/c1-7-4-3-5-8(2)6-7;1-5-2-3-6(8)7(9)4-5/h3-6H,1-2H3;2-4H,1H3
InChIKeyGFYZYOICBHKMKX-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.20
LogP ≤ 55.61
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-methylbenzene;1,3-xylene?
The IUPAC name of 1,2-dichloro-4-methylbenzene;1,3-xylene (CID 158244707) is 1,2-dichloro-4-methylbenzene;1,3-xylene.
What is the SMILES notation for 1,2-dichloro-4-methylbenzene;1,3-xylene?
The canonical SMILES for 1,2-dichloro-4-methylbenzene;1,3-xylene is Cc1ccc(Cl)c(Cl)c1.Cc1cccc(C)c1.
What is the InChIKey of 1,2-dichloro-4-methylbenzene;1,3-xylene?
The InChIKey is GFYZYOICBHKMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H6Cl2/c1-7-4-3-5-8(2)6-7;1-5-2-3-6(8)7(9)4-5/h3-6H,1-2H3;2-4H,1H3.
What are the key properties of 1,2-dichloro-4-methylbenzene;1,3-xylene?
1,2-dichloro-4-methylbenzene;1,3-xylene has a molecular weight of 267.20 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-methylbenzene;1,3-xylene is sourced from PubChem (CID 158244707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).