3-(2-hydroxypropylsulfanyl)phenol

C9H12O2S — CID 104590031

IUPAC3-(2-hydroxypropylsulfanyl)phenol
SMILESCC(O)CSc1cccc(O)c1
InChIInChI=1S/C9H12O2S/c1-7(10)6-12-9-4-2-3-8(11)5-9/h2-5,7,10-11H,6H2,1H3
InChIKeyPBYZSASIKBXWKY-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.87
Rot. Bonds3

About 3-(2-hydroxypropylsulfanyl)phenol

3-(2-hydroxypropylsulfanyl)phenol (PubChem CID 104590031) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-(2-hydroxypropylsulfanyl)phenol.

Molecular Properties

Compound Name3-(2-hydroxypropylsulfanyl)phenol
PubChem CID104590031
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name3-(2-hydroxypropylsulfanyl)phenol
SMILESCC(O)CSc1cccc(O)c1
InChIInChI=1S/C9H12O2S/c1-7(10)6-12-9-4-2-3-8(11)5-9/h2-5,7,10-11H,6H2,1H3
InChIKeyPBYZSASIKBXWKY-UHFFFAOYSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-hydroxypropylsulfanyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-hydroxybutylsulfanyl)phenol
CID 104590052
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
1-[4-(2-hydroxypropylsulfanyl)phenyl]sulfanylpropan-2-ol
CID 90842092
3-(3-aminobutylsulfanyl)phenol
CID 84667848
benzene-1,3-diol;propane-1,2-diol
CID 158855100
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
3,3,3-trifluoro-2-[(3-hydroxyphenyl)sulfanylmethyl]propanoic acid
CID 104589942
3-(3-hydroxypropylsulfanyl)phenol
CID 70270540
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanoic acid
CID 105345300
bis(3-methylsulfanylphenol);zirconium
CID 174409712
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropylsulfanyl)phenol?
The IUPAC name of 3-(2-hydroxypropylsulfanyl)phenol (CID 104590031) is 3-(2-hydroxypropylsulfanyl)phenol.
What is the SMILES notation for 3-(2-hydroxypropylsulfanyl)phenol?
The canonical SMILES for 3-(2-hydroxypropylsulfanyl)phenol is CC(O)CSc1cccc(O)c1.
What is the InChIKey of 3-(2-hydroxypropylsulfanyl)phenol?
The InChIKey is PBYZSASIKBXWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-7(10)6-12-9-4-2-3-8(11)5-9/h2-5,7,10-11H,6H2,1H3.
What are the key properties of 3-(2-hydroxypropylsulfanyl)phenol?
3-(2-hydroxypropylsulfanyl)phenol has a molecular weight of 184.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropylsulfanyl)phenol is sourced from PubChem (CID 104590031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).