1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene

C17H12Cl4 — CID 70540354

IUPAC1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene
SMILESCc1cc(Cl)ccc1Cl.Clc1ccc(Cl)c2ccccc12
InChIInChI=1S/C10H6Cl2.C7H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;1-5-4-6(8)2-3-7(5)9/h1-6H;2-4H,1H3
InChIKeyMGASBUWWGGVXHU-UHFFFAOYSA-N
MW358.10 g/mol
LogP7.45
Rot. Bonds

About 1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene

1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene (PubChem CID 70540354) has the molecular formula C17H12Cl4 and a molecular weight of 358.10 g/mol. Its IUPAC name is 1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene.

Molecular Properties

Compound Name1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene
PubChem CID70540354
Molecular FormulaC17H12Cl4
Molecular Weight358.10 g/mol
Exact Mass355.97
IUPAC Name1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene
SMILESCc1cc(Cl)ccc1Cl.Clc1ccc(Cl)c2ccccc12
InChIInChI=1S/C10H6Cl2.C7H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;1-5-4-6(8)2-3-7(5)9/h1-6H;2-4H,1H3
InChIKeyMGASBUWWGGVXHU-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.10
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene?
The IUPAC name of 1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene (CID 70540354) is 1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene.
What is the SMILES notation for 1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene?
The canonical SMILES for 1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene is Cc1cc(Cl)ccc1Cl.Clc1ccc(Cl)c2ccccc12.
What is the InChIKey of 1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene?
The InChIKey is MGASBUWWGGVXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2.C7H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;1-5-4-6(8)2-3-7(5)9/h1-6H;2-4H,1H3.
What are the key properties of 1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene?
1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene has a molecular weight of 358.10 g/mol, XLogP of 7.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene is sourced from PubChem (CID 70540354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).