3-(2-hydroxybutylsulfanyl)phenol

C10H14O2S — CID 104590052

IUPAC3-(2-hydroxybutylsulfanyl)phenol
SMILESCCC(O)CSc1cccc(O)c1
InChIInChI=1S/C10H14O2S/c1-2-8(11)7-13-10-5-3-4-9(12)6-10/h3-6,8,11-12H,2,7H2,1H3
InChIKeyXTDBBVHGKJOHDW-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.26
Rot. Bonds4

About 3-(2-hydroxybutylsulfanyl)phenol

3-(2-hydroxybutylsulfanyl)phenol (PubChem CID 104590052) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(2-hydroxybutylsulfanyl)phenol.

Molecular Properties

Compound Name3-(2-hydroxybutylsulfanyl)phenol
PubChem CID104590052
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name3-(2-hydroxybutylsulfanyl)phenol
SMILESCCC(O)CSc1cccc(O)c1
InChIInChI=1S/C10H14O2S/c1-2-8(11)7-13-10-5-3-4-9(12)6-10/h3-6,8,11-12H,2,7H2,1H3
InChIKeyXTDBBVHGKJOHDW-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxybutylsulfanyl)phenol?
The IUPAC name of 3-(2-hydroxybutylsulfanyl)phenol (CID 104590052) is 3-(2-hydroxybutylsulfanyl)phenol.
What is the SMILES notation for 3-(2-hydroxybutylsulfanyl)phenol?
The canonical SMILES for 3-(2-hydroxybutylsulfanyl)phenol is CCC(O)CSc1cccc(O)c1.
What is the InChIKey of 3-(2-hydroxybutylsulfanyl)phenol?
The InChIKey is XTDBBVHGKJOHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-2-8(11)7-13-10-5-3-4-9(12)6-10/h3-6,8,11-12H,2,7H2,1H3.
What are the key properties of 3-(2-hydroxybutylsulfanyl)phenol?
3-(2-hydroxybutylsulfanyl)phenol has a molecular weight of 198.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxybutylsulfanyl)phenol is sourced from PubChem (CID 104590052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).