1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol

C15H13BrClFOS — CID 107884277

IUPAC1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol
SMILESOC(CSc1cccc(Br)c1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13BrClFOS/c16-11-2-1-3-13(8-11)20-9-12(19)6-10-4-5-14(17)15(18)7-10/h1-5,7-8,12,19H,6,9H2
InChIKeyAPOJJJQFBVCWBO-UHFFFAOYSA-N
MW375.69 g/mol
LogP4.94
Rot. Bonds5

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

1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol (PubChem CID 107884277) has the molecular formula C15H13BrClFOS and a molecular weight of 375.69 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol
PubChem CID107884277
Molecular FormulaC15H13BrClFOS
Molecular Weight375.69 g/mol
Exact Mass373.95
IUPAC Name1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol
SMILESOC(CSc1cccc(Br)c1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13BrClFOS/c16-11-2-1-3-13(8-11)20-9-12(19)6-10-4-5-14(17)15(18)7-10/h1-5,7-8,12,19H,6,9H2
InChIKeyAPOJJJQFBVCWBO-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-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 115983592
1-(3-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-ol
CID 66143354
1-(3-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883507
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039620
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66145512
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894369

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol (CID 107884277) is 1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol is OC(CSc1cccc(Br)c1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol?
The InChIKey is APOJJJQFBVCWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFOS/c16-11-2-1-3-13(8-11)20-9-12(19)6-10-4-5-14(17)15(18)7-10/h1-5,7-8,12,19H,6,9H2.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3-(4-chloro-3-fluorophenyl)propan-2-ol?
1-(3-bromophenyl)sulfanyl-3-(4-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-(4-chloro-3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 107884277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).