1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene

C18H22 — CID 590366

IUPAC1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene
SMILESCc1cc(C)c(C)c(CCc2ccccc2)c1C
InChIInChI=1S/C18H22/c1-13-12-14(2)16(4)18(15(13)3)11-10-17-8-6-5-7-9-17/h5-9,12H,10-11H2,1-4H3
InChIKeyCKSICMZVJPRIHW-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.71
Rot. Bonds3

About 1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene

1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene (PubChem CID 590366) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene
PubChem CID590366
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene
SMILESCc1cc(C)c(C)c(CCc2ccccc2)c1C
InChIInChI=1S/C18H22/c1-13-12-14(2)16(4)18(15(13)3)11-10-17-8-6-5-7-9-17/h5-9,12H,10-11H2,1-4H3
InChIKeyCKSICMZVJPRIHW-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
ethane;methane;2-phenylethylbenzene
CID 158652330
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene
CID 173430520
hafnium;2-phenylethylbenzene
CID 173109801
3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene
CID 53403936
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905
1,3-diethyl-2-(2-phenylethyl)benzene
CID 14325369
2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 590126
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
chloro-tris(2,6-dibenzyl-3,4-dimethylphenyl)silane
CID 88962459

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene?
The IUPAC name of 1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene (CID 590366) is 1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene.
What is the SMILES notation for 1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene?
The canonical SMILES for 1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene is Cc1cc(C)c(C)c(CCc2ccccc2)c1C.
What is the InChIKey of 1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene?
The InChIKey is CKSICMZVJPRIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-13-12-14(2)16(4)18(15(13)3)11-10-17-8-6-5-7-9-17/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene?
1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene is sourced from PubChem (CID 590366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).