1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol

C15H14BrClOS — CID 66056866

IUPAC1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol
SMILESOC(CSc1ccc(Br)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H14BrClOS/c16-12-4-6-15(7-5-12)19-10-14(18)9-11-2-1-3-13(17)8-11/h1-8,14,18H,9-10H2
InChIKeyIOKSCYJBXDHIBL-UHFFFAOYSA-N
MW357.70 g/mol
LogP4.80
Rot. Bonds5

About 1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol

1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol (PubChem CID 66056866) has the molecular formula C15H14BrClOS and a molecular weight of 357.70 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol
PubChem CID66056866
Molecular FormulaC15H14BrClOS
Molecular Weight357.70 g/mol
Exact Mass355.96
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol
SMILESOC(CSc1ccc(Br)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H14BrClOS/c16-12-4-6-15(7-5-12)19-10-14(18)9-11-2-1-3-13(17)8-11/h1-8,14,18H,9-10H2
InChIKeyIOKSCYJBXDHIBL-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039620
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66145512
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
CID 107978121
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884277
1-(3-bromophenyl)sulfanyl-3-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103048267
1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine
CID 66054713
1-(3-bromophenyl)sulfanyl-3-(4-chloro-2-fluorophenyl)propan-2-ol
CID 114854776
4-(3-chlorophenyl)sulfanylbutane-1,3-diol
CID 104827170
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol (CID 66056866) is 1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol is OC(CSc1ccc(Br)cc1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol?
The InChIKey is IOKSCYJBXDHIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClOS/c16-12-4-6-15(7-5-12)19-10-14(18)9-11-2-1-3-13(17)8-11/h1-8,14,18H,9-10H2.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol?
1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol has a molecular weight of 357.70 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-(3-chlorophenyl)propan-2-ol is sourced from PubChem (CID 66056866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).