1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene

C18H22 — CID 91568934

IUPAC1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
SMILESCc1cc(C)c(-c2ccc(C)c(C)c2C)c(C)c1
InChIInChI=1S/C18H22/c1-11-9-13(3)18(14(4)10-11)17-8-7-12(2)15(5)16(17)6/h7-10H,1-6H3
InChIKeyMQCNRRLRTNMETM-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.20
Rot. Bonds1

About 1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene

1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene (PubChem CID 91568934) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene.

Molecular Properties

Compound Name1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
PubChem CID91568934
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
SMILESCc1cc(C)c(-c2ccc(C)c(C)c2C)c(C)c1
InChIInChI=1S/C18H22/c1-11-9-13(3)18(14(4)10-11)17-8-7-12(2)15(5)16(17)6/h7-10H,1-6H3
InChIKeyMQCNRRLRTNMETM-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
CID 91665782
5-(2,4,6-trimethylphenyl)benzene-1,2,4-triol
CID 101299568
1,3,6,8-tetrakis(2,4,6-trimethylphenyl)pyrene
CID 59575113
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
CID 137158148
CID 137158148
3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one
CID 139975435
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 134905872
CID 134905872
1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene
CID 68744972
2-[2-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]ditellanyl]-3-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 101453137
1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
CID 91338289

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene?
The IUPAC name of 1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene (CID 91568934) is 1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene.
What is the SMILES notation for 1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene?
The canonical SMILES for 1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene is Cc1cc(C)c(-c2ccc(C)c(C)c2C)c(C)c1.
What is the InChIKey of 1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene?
The InChIKey is MQCNRRLRTNMETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-11-9-13(3)18(14(4)10-11)17-8-7-12(2)15(5)16(17)6/h7-10H,1-6H3.
What are the key properties of 1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene?
1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene is sourced from PubChem (CID 91568934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).