1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene

C21H27Cl — CID 54008423

IUPAC1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c(Cl)c(C)c2C)c(C)c1C
InChIInChI=1S/C21H27Cl/c1-10-11(2)13(4)19(14(5)12(10)3)20-15(6)17(8)21(22)18(9)16(20)7/h1-9H3
InChIKeyKQOCCSQFDKENAA-UHFFFAOYSA-N
MW314.90 g/mol
LogP6.78
Rot. Bonds1

About 1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene

1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene (PubChem CID 54008423) has the molecular formula C21H27Cl and a molecular weight of 314.90 g/mol. Its IUPAC name is 1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene.

Molecular Properties

Compound Name1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
PubChem CID54008423
Molecular FormulaC21H27Cl
Molecular Weight314.90 g/mol
Exact Mass314.18
IUPAC Name1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c(Cl)c(C)c2C)c(C)c1C
InChIInChI=1S/C21H27Cl/c1-10-11(2)13(4)19(14(5)12(10)3)20-15(6)17(8)21(22)18(9)16(20)7/h1-9H3
InChIKeyKQOCCSQFDKENAA-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.90
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 157259887
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
CID 163470623
1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride
CID 172812732
1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene
CID 135251989
2,4,6-trichloro-3,5-dimethylaniline
CID 130155317
1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene
CID 59816825
1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59927845
chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)
CID 11072056
(2-chloro-3,4,5,6-tetramethylphenyl)boronic acid
CID 174081656
1-bromo-3,4-dichloro-2,5,6-trimethylbenzene
CID 13202029
4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione
CID 142507939

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene?
The IUPAC name of 1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene (CID 54008423) is 1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene.
What is the SMILES notation for 1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene?
The canonical SMILES for 1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene is Cc1c(C)c(C)c(-c2c(C)c(C)c(Cl)c(C)c2C)c(C)c1C.
What is the InChIKey of 1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene?
The InChIKey is KQOCCSQFDKENAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Cl/c1-10-11(2)13(4)19(14(5)12(10)3)20-15(6)17(8)21(22)18(9)16(20)7/h1-9H3.
What are the key properties of 1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene?
1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene has a molecular weight of 314.90 g/mol, XLogP of 6.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene is sourced from PubChem (CID 54008423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).