2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene

C22H30 — CID 153279790

IUPAC2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene
SMILESCc1cc(-c2cccc(C(C)(C)C)c2)cc(C)c1C(C)(C)C
InChIInChI=1S/C22H30/c1-15-12-18(13-16(2)20(15)22(6,7)8)17-10-9-11-19(14-17)21(3,4)5/h9-14H,1-8H3
InChIKeyAXMPFPXRAKDUNR-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.57
Rot. Bonds1

About 2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene

2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene (PubChem CID 153279790) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene
PubChem CID153279790
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene
SMILESCc1cc(-c2cccc(C(C)(C)C)c2)cc(C)c1C(C)(C)C
InChIInChI=1S/C22H30/c1-15-12-18(13-16(2)20(15)22(6,7)8)17-10-9-11-19(14-17)21(3,4)5/h9-14H,1-8H3
InChIKeyAXMPFPXRAKDUNR-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-tert-butylphenyl)-1,2-dimethylbenzene
CID 59105932
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
1-tert-butyl-3-(3-fluorophenyl)benzene
CID 59066475
1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene
CID 168802983
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;5-(4-tert-butylphenyl)-2-methoxypyrimidine;2-(4-tert-butylphenyl)-5-methylpyrimidine
CID 157375839
alumane;1,3-ditert-butylbenzene
CID 174392215
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
CID 140865935
2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine
CID 168805959

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene?
The IUPAC name of 2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene (CID 153279790) is 2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene.
What is the SMILES notation for 2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene?
The canonical SMILES for 2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene is Cc1cc(-c2cccc(C(C)(C)C)c2)cc(C)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene?
The InChIKey is AXMPFPXRAKDUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-15-12-18(13-16(2)20(15)22(6,7)8)17-10-9-11-19(14-17)21(3,4)5/h9-14H,1-8H3.
What are the key properties of 2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene?
2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene is sourced from PubChem (CID 153279790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).