1-tert-butyl-3-(4-tert-butylphenoxy)benzene

C20H26O — CID 58542650

IUPAC1-tert-butyl-3-(4-tert-butylphenoxy)benzene
SMILESCC(C)(C)c1ccc(Oc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C20H26O/c1-19(2,3)15-10-12-17(13-11-15)21-18-9-7-8-16(14-18)20(4,5)6/h7-14H,1-6H3
InChIKeyJFPLFAMXYPMFHQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP6.07
Rot. Bonds2

About 1-tert-butyl-3-(4-tert-butylphenoxy)benzene

1-tert-butyl-3-(4-tert-butylphenoxy)benzene (PubChem CID 58542650) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-tert-butylphenoxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-(4-tert-butylphenoxy)benzene
PubChem CID58542650
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-tert-butyl-3-(4-tert-butylphenoxy)benzene
SMILESCC(C)(C)c1ccc(Oc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C20H26O/c1-19(2,3)15-10-12-17(13-11-15)21-18-9-7-8-16(14-18)20(4,5)6/h7-14H,1-6H3
InChIKeyJFPLFAMXYPMFHQ-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-3-(4-tert-butylphenoxy)benzene 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

1-tert-butyl-3-(4-ethenylphenoxy)benzene
CID 155466974
3-[4-[4-(3-tert-butylphenoxy)phenyl]phenoxy]aniline
CID 143534956
5-(3-tert-butylphenoxy)pyridin-2-amine
CID 43351773
1-[3-(3-tert-butylphenoxy)phenyl]-N-methylmethanamine
CID 63942522
4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline
CID 116996629
3-methyl-2-[3-(4-methylphenoxy)phenyl]butan-2-amine
CID 142070929
2-[3-(4-aminophenoxy)phenyl]-2-methylpropanenitrile
CID 116996664
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium
CID 161258227
(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol
CID 83125531
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine
CID 55124372
1-(2,3,3-trimethylpentan-2-yl)-3-[3-(2,3,3-trimethylpentan-2-yl)phenoxy]benzene
CID 66835836

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-tert-butylphenoxy)benzene?
The IUPAC name of 1-tert-butyl-3-(4-tert-butylphenoxy)benzene (CID 58542650) is 1-tert-butyl-3-(4-tert-butylphenoxy)benzene.
What is the SMILES notation for 1-tert-butyl-3-(4-tert-butylphenoxy)benzene?
The canonical SMILES for 1-tert-butyl-3-(4-tert-butylphenoxy)benzene is CC(C)(C)c1ccc(Oc2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-tert-butylphenoxy)benzene?
The InChIKey is JFPLFAMXYPMFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-19(2,3)15-10-12-17(13-11-15)21-18-9-7-8-16(14-18)20(4,5)6/h7-14H,1-6H3.
What are the key properties of 1-tert-butyl-3-(4-tert-butylphenoxy)benzene?
1-tert-butyl-3-(4-tert-butylphenoxy)benzene has a molecular weight of 282.43 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-tert-butylphenoxy)benzene is sourced from PubChem (CID 58542650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).