1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene

C21H19Cl — CID 170132314

IUPAC1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(Cl)c(C)c3C)cc2)cc1
InChIInChI=1S/C21H19Cl/c1-14-4-6-17(7-5-14)18-8-10-19(11-9-18)20-12-13-21(22)16(3)15(20)2/h4-13H,1-3H3
InChIKeySEQPPAJWJXUBTD-UHFFFAOYSA-N
MW306.84 g/mol
LogP6.60
Rot. Bonds2

About 1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene

1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene (PubChem CID 170132314) has the molecular formula C21H19Cl and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
PubChem CID170132314
Molecular FormulaC21H19Cl
Molecular Weight306.84 g/mol
Exact Mass306.12
IUPAC Name1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(Cl)c(C)c3C)cc2)cc1
InChIInChI=1S/C21H19Cl/c1-14-4-6-17(7-5-14)18-8-10-19(11-9-18)20-12-13-21(22)16(3)15(20)2/h4-13H,1-3H3
InChIKeySEQPPAJWJXUBTD-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.84
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-methyl-3-(4-methylphenyl)benzene
CID 164892944
2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 143286590
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
1,6-dimethylazulene
CID 10855725
23-chloroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 102127640
2-chloro-5-(2-chloro-4-methylphenyl)phenol
CID 53221345
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
4-methyl-1-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]benzene
CID 58892414
4-(2-chloro-4-methylphenyl)pyridine
CID 46317056
2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
CID 115045738
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560
1-(4-bromophenyl)-2,3,4-trimethylbenzene
CID 174839809

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene (CID 170132314) is 1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2ccc(-c3ccc(Cl)c(C)c3C)cc2)cc1.
What is the InChIKey of 1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene?
The InChIKey is SEQPPAJWJXUBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl/c1-14-4-6-17(7-5-14)18-8-10-19(11-9-18)20-12-13-21(22)16(3)15(20)2/h4-13H,1-3H3.
What are the key properties of 1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene?
1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene has a molecular weight of 306.84 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 170132314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).