1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol

C15H13BrClFOS — CID 115983592

IUPAC1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol
SMILESOC(CSc1cccc(Br)c1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13BrClFOS/c16-11-4-2-5-13(8-11)20-9-12(19)7-10-3-1-6-14(18)15(10)17/h1-6,8,12,19H,7,9H2
InChIKeyOLOSPYMCXIHJMO-UHFFFAOYSA-N
MW375.69 g/mol
LogP4.94
Rot. Bonds5

About 1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol

1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol (PubChem CID 115983592) has the molecular formula C15H13BrClFOS and a molecular weight of 375.69 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol
PubChem CID115983592
Molecular FormulaC15H13BrClFOS
Molecular Weight375.69 g/mol
Exact Mass373.95
IUPAC Name1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol
SMILESOC(CSc1cccc(Br)c1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13BrClFOS/c16-11-4-2-5-13(8-11)20-9-12(19)7-10-3-1-6-14(18)15(10)17/h1-6,8,12,19H,7,9H2
InChIKeyOLOSPYMCXIHJMO-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)sulfanyl-3-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103048267
1-(3-bromophenyl)sulfanyl-3-(4-chloro-2-fluorophenyl)propan-2-ol
CID 114854776
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590
1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884277
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
1-(3-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-ol
CID 66143354
1-(3-bromophenyl)sulfanyl-4-methylpentan-2-ol
CID 66159590
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
1-(3-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66159990
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol (CID 115983592) is 1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol is OC(CSc1cccc(Br)c1)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol?
The InChIKey is OLOSPYMCXIHJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFOS/c16-11-4-2-5-13(8-11)20-9-12(19)7-10-3-1-6-14(18)15(10)17/h1-6,8,12,19H,7,9H2.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol?
1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol has a molecular weight of 375.69 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 115983592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).