3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol

C15H20OS — CID 171958723

IUPAC3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
SMILESCc1cccc(C2(O)CC3CCC(C2)S3)c1C
InChIInChI=1S/C15H20OS/c1-10-4-3-5-14(11(10)2)15(16)8-12-6-7-13(9-15)17-12/h3-5,12-13,16H,6-9H2,1-2H3
InChIKeyMOJGXNMNRVFDAA-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.55
Rot. Bonds1

About 3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol

3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol (PubChem CID 171958723) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
PubChem CID171958723
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
SMILESCc1cccc(C2(O)CC3CCC(C2)S3)c1C
InChIInChI=1S/C15H20OS/c1-10-4-3-5-14(11(10)2)15(16)8-12-6-7-13(9-15)17-12/h3-5,12-13,16H,6-9H2,1-2H3
InChIKeyMOJGXNMNRVFDAA-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxy-8-thiabicyclo[3.2.1]octan-3-yl)-2-methylbenzonitrile
CID 171960523
1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol
CID 64746667
3-(2-ethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171958748
1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63406978
3-(2,6-dimethoxyphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171955282
3-(2-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171958442
2-(2,3-dimethylphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62549374
2-(3-hydroxy-8-thiabicyclo[3.2.1]octan-3-yl)-4-methylbenzonitrile
CID 171960423
3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171955555
3-(2-ethoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171961327
3-(2-fluoro-3-methylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171959187
3-[3-(trifluoromethyl)phenyl]-8-thiabicyclo[3.2.1]octan-3-ol
CID 171955702

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol (CID 171958723) is 3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol is Cc1cccc(C2(O)CC3CCC(C2)S3)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol?
The InChIKey is MOJGXNMNRVFDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-10-4-3-5-14(11(10)2)15(16)8-12-6-7-13(9-15)17-12/h3-5,12-13,16H,6-9H2,1-2H3.
What are the key properties of 3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol?
3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol has a molecular weight of 248.39 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171958723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).