1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene

C20H26OS — CID 129163721

IUPAC1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene
SMILESCC(C)(C)Sc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26OS/c1-19(2,3)15-7-9-16(10-8-15)21-17-11-13-18(14-12-17)22-20(4,5)6/h7-14H,1-6H3
InChIKeyFSPRRRYTXXPADJ-UHFFFAOYSA-N
MW314.49 g/mol
LogP6.67
Rot. Bonds3

About 1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene

1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene (PubChem CID 129163721) has the molecular formula C20H26OS and a molecular weight of 314.49 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene
PubChem CID129163721
Molecular FormulaC20H26OS
Molecular Weight314.49 g/mol
Exact Mass314.17
IUPAC Name1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene
SMILESCC(C)(C)Sc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26OS/c1-19(2,3)15-7-9-16(10-8-15)21-17-11-13-18(14-12-17)22-20(4,5)6/h7-14H,1-6H3
InChIKeyFSPRRRYTXXPADJ-UHFFFAOYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(tert-butylsulfanyl)benzene
CID 784937
1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene
CID 167298783
1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene
CID 129089574
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
bis[4-(4-tert-butylphenoxy)phenyl]diazene
CID 86182593
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;(4-methylphenyl)-[4-[4-[(4-methylphenyl)-phenylsulfonio]phenoxy]phenyl]-phenylsulfanium
CID 157231516
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium
CID 160516311
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methylphenyl)-[4-[4-[(4-methylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium
CID 160603208
1-tert-butyl-4-(trifluoromethylsulfanyl)benzene
CID 138974007
4-(4-tert-butylphenoxy)-N-methylaniline
CID 83549428
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium
CID 161258227
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium
CID 157116832

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene?
The IUPAC name of 1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene (CID 129163721) is 1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene.
What is the SMILES notation for 1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene?
The canonical SMILES for 1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene is CC(C)(C)Sc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene?
The InChIKey is FSPRRRYTXXPADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OS/c1-19(2,3)15-7-9-16(10-8-15)21-17-11-13-18(14-12-17)22-20(4,5)6/h7-14H,1-6H3.
What are the key properties of 1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene?
1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene has a molecular weight of 314.49 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene is sourced from PubChem (CID 129163721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).