1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene

C25H28OS — CID 167298783

IUPAC1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccc(Oc2ccc(Sc3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C25H28OS/c1-18(2)19-6-10-21(11-7-19)26-22-12-16-24(17-13-22)27-23-14-8-20(9-15-23)25(3,4)5/h6-18H,1-5H3
InChIKeyIJBFJZYADNYUBO-UHFFFAOYSA-N
MW376.57 g/mol
LogP8.05
Rot. Bonds5

About 1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene

1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene (PubChem CID 167298783) has the molecular formula C25H28OS and a molecular weight of 376.57 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene
PubChem CID167298783
Molecular FormulaC25H28OS
Molecular Weight376.57 g/mol
Exact Mass376.19
IUPAC Name1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccc(Oc2ccc(Sc3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C25H28OS/c1-18(2)19-6-10-21(11-7-19)26-22-12-16-24(17-13-22)27-23-14-8-20(9-15-23)25(3,4)5/h6-18H,1-5H3
InChIKeyIJBFJZYADNYUBO-UHFFFAOYSA-N
XLogP8.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfanylphenyl]-N-(4-tert-butylphenyl)-4-propan-2-ylaniline
CID 138547339
1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene
CID 129089574
1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene
CID 129163721
1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814615
[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)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)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-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
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
1-tert-butyl-4-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 63431525
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene?
The IUPAC name of 1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene (CID 167298783) is 1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene is CC(C)c1ccc(Oc2ccc(Sc3ccc(C(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene?
The InChIKey is IJBFJZYADNYUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28OS/c1-18(2)19-6-10-21(11-7-19)26-22-12-16-24(17-13-22)27-23-14-8-20(9-15-23)25(3,4)5/h6-18H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene?
1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene has a molecular weight of 376.57 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 167298783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).