4-(4-bromo-2-methylphenyl)sulfanylphenol

C13H11BrOS — CID 91877655

IUPAC4-(4-bromo-2-methylphenyl)sulfanylphenol
SMILESCc1cc(Br)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C13H11BrOS/c1-9-8-10(14)2-7-13(9)16-12-5-3-11(15)4-6-12/h2-8,15H,1H3
InChIKeyHJGPQVFCKZZXPG-UHFFFAOYSA-N
MW295.20 g/mol
LogP4.61
Rot. Bonds2

About 4-(4-bromo-2-methylphenyl)sulfanylphenol

4-(4-bromo-2-methylphenyl)sulfanylphenol (PubChem CID 91877655) has the molecular formula C13H11BrOS and a molecular weight of 295.20 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenyl)sulfanylphenol
PubChem CID91877655
Molecular FormulaC13H11BrOS
Molecular Weight295.20 g/mol
Exact Mass293.97
IUPAC Name4-(4-bromo-2-methylphenyl)sulfanylphenol
SMILESCc1cc(Br)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C13H11BrOS/c1-9-8-10(14)2-7-13(9)16-12-5-3-11(15)4-6-12/h2-8,15H,1H3
InChIKeyHJGPQVFCKZZXPG-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene
CID 91877718
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
3-bromo-4-(4-bromophenyl)sulfanylphenol
CID 91877631
4-bromo-1-hydroxysulfanyl-2-methylbenzene
CID 175413472
1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene
CID 58715679
4-(4-hydroxy-3-methylphenyl)sulfanyl-3-methylphenol
CID 172565208
4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile
CID 91879591
4-bromo-2-(4-hydroxyphenyl)sulfanylbenzonitrile
CID 114906905
4-(4-bromophenyl)sulfanyl-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933782
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane
CID 143619217
5-bromo-2-(4-ethylphenyl)sulfanylphenol
CID 91877717

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenyl)sulfanylphenol?
The IUPAC name of 4-(4-bromo-2-methylphenyl)sulfanylphenol (CID 91877655) is 4-(4-bromo-2-methylphenyl)sulfanylphenol.
What is the SMILES notation for 4-(4-bromo-2-methylphenyl)sulfanylphenol?
The canonical SMILES for 4-(4-bromo-2-methylphenyl)sulfanylphenol is Cc1cc(Br)ccc1Sc1ccc(O)cc1.
What is the InChIKey of 4-(4-bromo-2-methylphenyl)sulfanylphenol?
The InChIKey is HJGPQVFCKZZXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrOS/c1-9-8-10(14)2-7-13(9)16-12-5-3-11(15)4-6-12/h2-8,15H,1H3.
What are the key properties of 4-(4-bromo-2-methylphenyl)sulfanylphenol?
4-(4-bromo-2-methylphenyl)sulfanylphenol has a molecular weight of 295.20 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenyl)sulfanylphenol is sourced from PubChem (CID 91877655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).