1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene

C23H32 — CID 144517673

IUPAC1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene
SMILESCc1cc(C)c(C(C)C)cc1-c1cc(C(C)(C)C)c(C)cc1C
InChIInChI=1S/C23H32/c1-14(2)19-12-20(16(4)10-15(19)3)21-13-22(23(7,8)9)18(6)11-17(21)5/h10-14H,1-9H3
InChIKeyCNZVGYCJUYHPOB-UHFFFAOYSA-N
MW308.51 g/mol
LogP7.01
Rot. Bonds2

About 1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene

1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene (PubChem CID 144517673) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene
PubChem CID144517673
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene
SMILESCc1cc(C)c(C(C)C)cc1-c1cc(C(C)(C)C)c(C)cc1C
InChIInChI=1S/C23H32/c1-14(2)19-12-20(16(4)10-15(19)3)21-13-22(23(7,8)9)18(6)11-17(21)5/h10-14H,1-9H3
InChIKeyCNZVGYCJUYHPOB-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethyl-5-propan-2-ylbenzene
CID 144517655
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene
CID 166005536
1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene
CID 144806043
1-(2,6-dimethoxyphenyl)-2,4-dimethyl-5-propan-2-ylbenzene
CID 102444217
1,5-dimethyl-2-methylsulfonyl-4-propan-2-ylbenzene
CID 123989601
1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene
CID 86094002
1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene
CID 173052655
2-tert-butyl-4-(4-fluorophenyl)-5-methylaniline
CID 67962216
CID 174031150
CID 174031150
1-tert-butyl-4-fluoro-2,5-dimethylbenzene
CID 58173964
2,4-ditert-butyl-5-methylphenol
CID 10346

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene?
The IUPAC name of 1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene (CID 144517673) is 1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene is Cc1cc(C)c(C(C)C)cc1-c1cc(C(C)(C)C)c(C)cc1C.
What is the InChIKey of 1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene?
The InChIKey is CNZVGYCJUYHPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-14(2)19-12-20(16(4)10-15(19)3)21-13-22(23(7,8)9)18(6)11-17(21)5/h10-14H,1-9H3.
What are the key properties of 1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene?
1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene has a molecular weight of 308.51 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene is sourced from PubChem (CID 144517673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).