2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene

C21H19Cl — CID 174900515

IUPAC2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(-c2ccccc2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H19Cl/c1-15-7-8-16(2)21(13-15)20-6-4-3-5-18(20)14-17-9-11-19(22)12-10-17/h3-13H,14H2,1-2H3
InChIKeyNYJJSEZNUMGKLU-UHFFFAOYSA-N
MW306.84 g/mol
LogP6.21
Rot. Bonds3

About 2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene

2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene (PubChem CID 174900515) has the molecular formula C21H19Cl and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene
PubChem CID174900515
Molecular FormulaC21H19Cl
Molecular Weight306.84 g/mol
Exact Mass306.12
IUPAC Name2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(-c2ccccc2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H19Cl/c1-15-7-8-16(2)21(13-15)20-6-4-3-5-18(20)14-17-9-11-19(22)12-10-17/h3-13H,14H2,1-2H3
InChIKeyNYJJSEZNUMGKLU-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.84
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;1,4-dimethyl-2-(2-methylphenyl)benzene
CID 142975298
[5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine
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2-(2-fluorophenyl)-1,4-dimethylbenzene
CID 66641436
(4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium
CID 8898295
2-[[2,6-bis(2,5-dimethylphenyl)phenyl]disulfanyl]-1,3-bis(2,5-dimethylphenyl)benzene
CID 87490839
2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
CID 24763942
2-[(4-chlorophenyl)methyl]aniline
CID 18412139
4-chloro-2-(2,5-dimethylphenyl)phenol
CID 83130826
1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene
CID 143438669
1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene
CID 43840277
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
2-(2,5-dimethylphenyl)-6-methylaniline
CID 23622687

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene (CID 174900515) is 2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene is Cc1ccc(C)c(-c2ccccc2Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene?
The InChIKey is NYJJSEZNUMGKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl/c1-15-7-8-16(2)21(13-15)20-6-4-3-5-18(20)14-17-9-11-19(22)12-10-17/h3-13H,14H2,1-2H3.
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene?
2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene has a molecular weight of 306.84 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene is sourced from PubChem (CID 174900515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).