[2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol

C13H10BrClOS — CID 63813275

IUPAC[2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol
SMILESOCc1c(Cl)cccc1Sc1ccccc1Br
InChIInChI=1S/C13H10BrClOS/c14-10-4-1-2-6-13(10)17-12-7-3-5-11(15)9(12)8-16/h1-7,16H,8H2
InChIKeyCFWWRRQMODEOSC-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.75
Rot. Bonds3

About [2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol

[2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol (PubChem CID 63813275) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is [2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol
PubChem CID63813275
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name[2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol
SMILESOCc1c(Cl)cccc1Sc1ccccc1Br
InChIInChI=1S/C13H10BrClOS/c14-10-4-1-2-6-13(10)17-12-7-3-5-11(15)9(12)8-16/h1-7,16H,8H2
InChIKeyCFWWRRQMODEOSC-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol 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

[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
CID 63835528
[2-chloro-6-(4-methylphenyl)sulfanylphenyl]methanol
CID 55240222
[2-chloro-6-(3-methylphenyl)sulfanylphenyl]methanol
CID 63835095
1-(2-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)propan-2-one
CID 66143656
[2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 63814768
(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol
CID 63835182
[2-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanol
CID 63835689
1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene
CID 177169783
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
CID 66145607
(2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol
CID 165355199
2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 63819614
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone
CID 43231190

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol?
The IUPAC name of [2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol (CID 63813275) is [2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol.
What is the SMILES notation for [2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol?
The canonical SMILES for [2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol is OCc1c(Cl)cccc1Sc1ccccc1Br.
What is the InChIKey of [2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol?
The InChIKey is CFWWRRQMODEOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c14-10-4-1-2-6-13(10)17-12-7-3-5-11(15)9(12)8-16/h1-7,16H,8H2.
What are the key properties of [2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol?
[2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol has a molecular weight of 329.65 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol is sourced from PubChem (CID 63813275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).