1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol

C15H13Cl2FOS — CID 115983590

IUPAC1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13Cl2FOS/c16-11-4-6-13(7-5-11)20-9-12(19)8-10-2-1-3-14(18)15(10)17/h1-7,12,19H,8-9H2
InChIKeyKIDXBVPONQRXBJ-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.83
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol

1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol (PubChem CID 115983590) has the molecular formula C15H13Cl2FOS and a molecular weight of 331.24 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
PubChem CID115983590
Molecular FormulaC15H13Cl2FOS
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13Cl2FOS/c16-11-4-6-13(7-5-11)20-9-12(19)8-10-2-1-3-14(18)15(10)17/h1-7,12,19H,8-9H2
InChIKeyKIDXBVPONQRXBJ-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931546
1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 115983592
1-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143959
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 114931542
1-(2-amino-3-pyridinyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143183
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66145512
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
1-(2-chloro-3-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 115831221

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol (CID 115983590) is 1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol is OC(CSc1ccc(Cl)cc1)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The InChIKey is KIDXBVPONQRXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FOS/c16-11-4-6-13(7-5-11)20-9-12(19)8-10-2-1-3-14(18)15(10)17/h1-7,12,19H,8-9H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol has a molecular weight of 331.24 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 115983590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).