2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform

C13H17F3OS — CID 174507431

IUPAC2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform
SMILESCc1cc(C2CCCS2)cc(C)c1O.FC(F)F
InChIInChI=1S/C12H16OS.CHF3/c1-8-6-10(7-9(2)12(8)13)11-4-3-5-14-11;2-1(3)4/h6-7,11,13H,3-5H2,1-2H3;1H
InChIKeyRYWRLTHNLLFKSD-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.76
Rot. Bonds1

About 2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform

2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform (PubChem CID 174507431) has the molecular formula C13H17F3OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform.

Molecular Properties

Compound Name2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform
PubChem CID174507431
Molecular FormulaC13H17F3OS
Molecular Weight278.34 g/mol
Exact Mass278.10
IUPAC Name2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform
SMILESCc1cc(C2CCCS2)cc(C)c1O.FC(F)F
InChIInChI=1S/C12H16OS.CHF3/c1-8-6-10(7-9(2)12(8)13)11-4-3-5-14-11;2-1(3)4/h6-7,11,13H,3-5H2,1-2H3;1H
InChIKeyRYWRLTHNLLFKSD-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform?
The IUPAC name of 2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform (CID 174507431) is 2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform.
What is the SMILES notation for 2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform?
The canonical SMILES for 2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform is Cc1cc(C2CCCS2)cc(C)c1O.FC(F)F.
What is the InChIKey of 2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform?
The InChIKey is RYWRLTHNLLFKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS.CHF3/c1-8-6-10(7-9(2)12(8)13)11-4-3-5-14-11;2-1(3)4/h6-7,11,13H,3-5H2,1-2H3;1H.
What are the key properties of 2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform?
2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform has a molecular weight of 278.34 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(thiolan-2-yl)phenol;fluoroform is sourced from PubChem (CID 174507431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).