1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

C16H16F2OS — CID 66096524

IUPAC1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccccc1SCC(O)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F2OS/c1-11-4-2-3-5-16(11)20-10-14(19)9-12-8-13(17)6-7-15(12)18/h2-8,14,19H,9-10H2,1H3
InChIKeyAHTSCVUGFPFPTP-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.97
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (PubChem CID 66096524) has the molecular formula C16H16F2OS and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
PubChem CID66096524
Molecular FormulaC16H16F2OS
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccccc1SCC(O)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F2OS/c1-11-4-2-3-5-16(11)20-10-14(19)9-12-8-13(17)6-7-15(12)18/h2-8,14,19H,9-10H2,1H3
InChIKeyAHTSCVUGFPFPTP-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 66145226
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483
1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096098
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096526
1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66096733
1-butan-2-ylsulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 65136744
1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61223548
1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
CID 105373485
[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol
CID 63836021
1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051511

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (CID 66096524) is 1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol is Cc1ccccc1SCC(O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is AHTSCVUGFPFPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2OS/c1-11-4-2-3-5-16(11)20-10-14(19)9-12-8-13(17)6-7-15(12)18/h2-8,14,19H,9-10H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 294.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66096524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).