2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene

C20H16Cl2 — CID 143286590

IUPAC2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(C)c(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C20H16Cl2/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(21)20(18)22/h3-12H,1-2H3
InChIKeyHEHOAISAYHVBPJ-UHFFFAOYSA-N
MW327.25 g/mol
LogP6.94
Rot. Bonds2

About 2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene

2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene (PubChem CID 143286590) has the molecular formula C20H16Cl2 and a molecular weight of 327.25 g/mol. Its IUPAC name is 2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
PubChem CID143286590
Molecular FormulaC20H16Cl2
Molecular Weight327.25 g/mol
Exact Mass326.06
IUPAC Name2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(C)c(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C20H16Cl2/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(21)20(18)22/h3-12H,1-2H3
InChIKeyHEHOAISAYHVBPJ-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.25
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 171367983
1,6-dimethylazulene
CID 10855725
1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 170132314
1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574
2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium
CID 148599359
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 159276562
methane;1-methyl-4-(4-methylphenyl)-2-(2-phenylphenyl)benzene
CID 144583638
2-(chloromethyl)-4-methyl-1-(4-methylphenyl)benzene;ethane
CID 178006479
4-methyl-1-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]benzene
CID 58892414
2-chloro-3-methyl-6-phenylbenzonitrile
CID 170991765

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene (CID 143286590) is 2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2ccc(-c3ccc(C)c(Cl)c3Cl)cc2)cc1.
What is the InChIKey of 2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene?
The InChIKey is HEHOAISAYHVBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(21)20(18)22/h3-12H,1-2H3.
What are the key properties of 2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene?
2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene has a molecular weight of 327.25 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 143286590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).