3-(3-hydroxypropylsulfanyl)phenol

C9H12O2S — CID 70270540

IUPAC3-(3-hydroxypropylsulfanyl)phenol
SMILESOCCCSc1cccc(O)c1
InChIInChI=1S/C9H12O2S/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1,3-4,7,10-11H,2,5-6H2
InChIKeyVFSBMXRSHJGAHG-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.87
Rot. Bonds4

About 3-(3-hydroxypropylsulfanyl)phenol

3-(3-hydroxypropylsulfanyl)phenol (PubChem CID 70270540) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-(3-hydroxypropylsulfanyl)phenol.

Molecular Properties

Compound Name3-(3-hydroxypropylsulfanyl)phenol
PubChem CID70270540
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name3-(3-hydroxypropylsulfanyl)phenol
SMILESOCCCSc1cccc(O)c1
InChIInChI=1S/C9H12O2S/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1,3-4,7,10-11H,2,5-6H2
InChIKeyVFSBMXRSHJGAHG-UHFFFAOYSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
3-(3-ethoxypropylsulfanyl)phenol
CID 104590102
3-[3-[4-(aminomethyl)phenyl]phenyl]sulfanylpropan-1-ol
CID 67457301
3-(3-aminobutylsulfanyl)phenol
CID 84667848
3-[2-(ethylamino)ethylsulfanyl]phenol
CID 104591079
3-(2-morpholin-4-ylethylsulfanyl)phenol
CID 104590753
3-(2-hydroxypropylsulfanyl)phenol
CID 104590031
3-(cyclopropylmethylsulfanyl)phenol
CID 112623566
3-[2-(2-methylphenoxy)ethylsulfanyl]phenol
CID 104590716
4-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-1-ol
CID 64661544
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
CID 66348613
1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one
CID 113430079

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropylsulfanyl)phenol?
The IUPAC name of 3-(3-hydroxypropylsulfanyl)phenol (CID 70270540) is 3-(3-hydroxypropylsulfanyl)phenol.
What is the SMILES notation for 3-(3-hydroxypropylsulfanyl)phenol?
The canonical SMILES for 3-(3-hydroxypropylsulfanyl)phenol is OCCCSc1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxypropylsulfanyl)phenol?
The InChIKey is VFSBMXRSHJGAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1,3-4,7,10-11H,2,5-6H2.
What are the key properties of 3-(3-hydroxypropylsulfanyl)phenol?
3-(3-hydroxypropylsulfanyl)phenol has a molecular weight of 184.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropylsulfanyl)phenol is sourced from PubChem (CID 70270540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).