1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol

C15H13Br2FOS — CID 66145409

IUPAC1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccccc1Br)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H13Br2FOS/c16-12-3-1-2-4-15(12)20-9-11(19)7-10-5-6-14(18)13(17)8-10/h1-6,8,11,19H,7,9H2
InChIKeyQJSAWKCPKPBLRZ-UHFFFAOYSA-N
MW420.14 g/mol
LogP5.05
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol

1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol (PubChem CID 66145409) has the molecular formula C15H13Br2FOS and a molecular weight of 420.14 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
PubChem CID66145409
Molecular FormulaC15H13Br2FOS
Molecular Weight420.14 g/mol
Exact Mass417.90
IUPAC Name1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccccc1Br)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H13Br2FOS/c16-12-3-1-2-4-15(12)20-9-11(19)7-10-5-6-14(18)13(17)8-10/h1-6,8,11,19H,7,9H2
InChIKeyQJSAWKCPKPBLRZ-UHFFFAOYSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.14
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66145512
1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 66145226
1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol
CID 66143470
1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 63901398
1-(2-bromophenyl)sulfanylpentan-2-ol
CID 66144436
1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954757
1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051511
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol
CID 63410648
1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039620
1-(2-bromophenyl)sulfanylheptan-2-ol
CID 66144629
1-(3-bromo-4-fluorophenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027437

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol (CID 66145409) is 1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol is OC(CSc1ccccc1Br)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol?
The InChIKey is QJSAWKCPKPBLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FOS/c16-12-3-1-2-4-15(12)20-9-11(19)7-10-5-6-14(18)13(17)8-10/h1-6,8,11,19H,7,9H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol?
1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol has a molecular weight of 420.14 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66145409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).