4-(2-hydroxyethylsulfanyl)phenol

C8H10O2S — CID 13052632

IUPAC4-(2-hydroxyethylsulfanyl)phenol
SMILESOCCSc1ccc(O)cc1
InChIInChI=1S/C8H10O2S/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,9-10H,5-6H2
InChIKeyIFHQAPBPRZJELK-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.48
Rot. Bonds3

About 4-(2-hydroxyethylsulfanyl)phenol

4-(2-hydroxyethylsulfanyl)phenol (PubChem CID 13052632) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)phenol.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)phenol
PubChem CID13052632
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name4-(2-hydroxyethylsulfanyl)phenol
SMILESOCCSc1ccc(O)cc1
InChIInChI=1S/C8H10O2S/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,9-10H,5-6H2
InChIKeyIFHQAPBPRZJELK-UHFFFAOYSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)phenol?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)phenol (CID 13052632) is 4-(2-hydroxyethylsulfanyl)phenol.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)phenol?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)phenol is OCCSc1ccc(O)cc1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)phenol?
The InChIKey is IFHQAPBPRZJELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,9-10H,5-6H2.
What are the key properties of 4-(2-hydroxyethylsulfanyl)phenol?
4-(2-hydroxyethylsulfanyl)phenol has a molecular weight of 170.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)phenol is sourced from PubChem (CID 13052632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).