4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene

C20H26 — CID 165380290

IUPAC4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene
SMILESCc1cc(C(C)(C)C)ccc1-c1cccc(C(C)C)c1
InChIInChI=1S/C20H26/c1-14(2)16-8-7-9-17(13-16)19-11-10-18(12-15(19)3)20(4,5)6/h7-14H,1-6H3
InChIKeyRVTYFTFGGRABTE-UHFFFAOYSA-N
MW266.43 g/mol
LogP6.08
Rot. Bonds2

About 4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene

4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene (PubChem CID 165380290) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene
PubChem CID165380290
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene
SMILESCc1cc(C(C)(C)C)ccc1-c1cccc(C(C)C)c1
InChIInChI=1S/C20H26/c1-14(2)16-8-7-9-17(13-16)19-11-10-18(12-15(19)3)20(4,5)6/h7-14H,1-6H3
InChIKeyRVTYFTFGGRABTE-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene
CID 163504476
2-methyl-6-(3-propan-2-ylphenyl)aniline
CID 172649943
4-methyl-3-(3-propan-2-ylphenyl)aniline
CID 175665580
2-(4-tert-butyl-2-methylphenyl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 159726150
[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 66837706
2-[3-(3-propan-2-ylphenyl)phenyl]propan-2-ol
CID 170591106
2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)aniline
CID 175665536
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
4-(3-propan-2-ylphenyl)benzene-1,2,3-triol
CID 54086039
1-fluoro-2-(3-propan-2-ylphenyl)benzene
CID 20871867
4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol
CID 123751575
1-(4-fluorophenyl)-5-propan-2-ylazulene
CID 19815703

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene?
The IUPAC name of 4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene (CID 165380290) is 4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene.
What is the SMILES notation for 4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene?
The canonical SMILES for 4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene is Cc1cc(C(C)(C)C)ccc1-c1cccc(C(C)C)c1.
What is the InChIKey of 4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene?
The InChIKey is RVTYFTFGGRABTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-14(2)16-8-7-9-17(13-16)19-11-10-18(12-15(19)3)20(4,5)6/h7-14H,1-6H3.
What are the key properties of 4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene?
4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene has a molecular weight of 266.43 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene is sourced from PubChem (CID 165380290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).