4-(thian-2-yloxy)phenol

C11H14O2S — CID 12978203

IUPAC4-(thian-2-yloxy)phenol
SMILESOc1ccc(OC2CCCCS2)cc1
InChIInChI=1S/C11H14O2S/c12-9-4-6-10(7-5-9)13-11-3-1-2-8-14-11/h4-7,11-12H,1-3,8H2
InChIKeyHJRGXHLPICBGPA-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.01
Rot. Bonds2

About 4-(thian-2-yloxy)phenol

4-(thian-2-yloxy)phenol (PubChem CID 12978203) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-(thian-2-yloxy)phenol.

Molecular Properties

Compound Name4-(thian-2-yloxy)phenol
PubChem CID12978203
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name4-(thian-2-yloxy)phenol
SMILESOc1ccc(OC2CCCCS2)cc1
InChIInChI=1S/C11H14O2S/c12-9-4-6-10(7-5-9)13-11-3-1-2-8-14-11/h4-7,11-12H,1-3,8H2
InChIKeyHJRGXHLPICBGPA-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(thian-2-yloxy)phenol?
The IUPAC name of 4-(thian-2-yloxy)phenol (CID 12978203) is 4-(thian-2-yloxy)phenol.
What is the SMILES notation for 4-(thian-2-yloxy)phenol?
The canonical SMILES for 4-(thian-2-yloxy)phenol is Oc1ccc(OC2CCCCS2)cc1.
What is the InChIKey of 4-(thian-2-yloxy)phenol?
The InChIKey is HJRGXHLPICBGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c12-9-4-6-10(7-5-9)13-11-3-1-2-8-14-11/h4-7,11-12H,1-3,8H2.
What are the key properties of 4-(thian-2-yloxy)phenol?
4-(thian-2-yloxy)phenol has a molecular weight of 210.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thian-2-yloxy)phenol is sourced from PubChem (CID 12978203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).