1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

C15H13Cl2FOS — CID 66052488

IUPAC1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccccc1F)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2FOS/c16-11-5-6-13(17)10(7-11)8-12(19)9-20-15-4-2-1-3-14(15)18/h1-7,12,19H,8-9H2
InChIKeySAUDAPLQANJYAV-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.83
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 66052488) has the molecular formula C15H13Cl2FOS and a molecular weight of 331.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
PubChem CID66052488
Molecular FormulaC15H13Cl2FOS
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccccc1F)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2FOS/c16-11-5-6-13(17)10(7-11)8-12(19)9-20-15-4-2-1-3-14(15)18/h1-7,12,19H,8-9H2
InChIKeySAUDAPLQANJYAV-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-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483
1-bromo-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 112560931
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931546
1-(2,5-dichlorophenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65321219
1-(3-bromophenyl)sulfanyl-3-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103048267
1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096098
1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051511
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590
1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine
CID 66144457
1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 66145226

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (CID 66052488) is 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is OC(CSc1ccccc1F)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is SAUDAPLQANJYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FOS/c16-11-5-6-13(17)10(7-11)8-12(19)9-20-15-4-2-1-3-14(15)18/h1-7,12,19H,8-9H2.
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)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-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66052488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).