1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene

C15H15BrOS — CID 137385958

IUPAC1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene
SMILESCC(C)Oc1ccc(Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrOS/c1-11(2)17-13-5-9-15(10-6-13)18-14-7-3-12(16)4-8-14/h3-11H,1-2H3
InChIKeyXQCYLMYETZOTHW-UHFFFAOYSA-N
MW323.26 g/mol
LogP5.39
Rot. Bonds4

About 1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene

1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene (PubChem CID 137385958) has the molecular formula C15H15BrOS and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene
PubChem CID137385958
Molecular FormulaC15H15BrOS
Molecular Weight323.26 g/mol
Exact Mass322.00
IUPAC Name1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene
SMILESCC(C)Oc1ccc(Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrOS/c1-11(2)17-13-5-9-15(10-6-13)18-14-7-3-12(16)4-8-14/h3-11H,1-2H3
InChIKeyXQCYLMYETZOTHW-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.26
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-propan-2-yloxyphenyl)sulfanylphenol
CID 134238936
2-(4-bromophenyl)sulfanyl-1-(4-propan-2-yloxyphenyl)ethanone
CID 66054282
S-(4-propan-2-yloxyphenyl)thiohydroxylamine
CID 117033766
1-bromo-4-(1-bromoethoxy)benzene
CID 68938279
1-bromo-4-(1-chloroethoxy)benzene
CID 57374070
N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492153
1-[chloro-(4-methylsulfanylphenyl)methyl]-4-propan-2-yloxybenzene
CID 79217227
1-bromo-4-(1-cyclohexylethoxy)benzene
CID 68813253
1-bromo-4-(4-tert-butylphenyl)sulfanylbenzene
CID 19764811
trichloro-(4-propan-2-yloxyphenyl)silane
CID 69462595
2-(4-propan-2-yloxyphenyl)sulfanylethanethiol
CID 117033741
4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 79402988

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene?
The IUPAC name of 1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene (CID 137385958) is 1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene?
The canonical SMILES for 1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene is CC(C)Oc1ccc(Sc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene?
The InChIKey is XQCYLMYETZOTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrOS/c1-11(2)17-13-5-9-15(10-6-13)18-14-7-3-12(16)4-8-14/h3-11H,1-2H3.
What are the key properties of 1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene?
1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene has a molecular weight of 323.26 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene is sourced from PubChem (CID 137385958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).