[4-(3-hydroxypropoxy)phenyl] thiohypochlorite

C9H11ClO2S — CID 23192680

IUPAC[4-(3-hydroxypropoxy)phenyl] thiohypochlorite
SMILESOCCCOc1ccc(SCl)cc1
InChIInChI=1S/C9H11ClO2S/c10-13-9-4-2-8(3-5-9)12-7-1-6-11/h2-5,11H,1,6-7H2
InChIKeyDDKGAZDSLWBUBY-UHFFFAOYSA-N
MW218.70 g/mol
LogP2.69
Rot. Bonds5

About [4-(3-hydroxypropoxy)phenyl] thiohypochlorite

[4-(3-hydroxypropoxy)phenyl] thiohypochlorite (PubChem CID 23192680) has the molecular formula C9H11ClO2S and a molecular weight of 218.70 g/mol. Its IUPAC name is [4-(3-hydroxypropoxy)phenyl] thiohypochlorite.

Molecular Properties

Compound Name[4-(3-hydroxypropoxy)phenyl] thiohypochlorite
PubChem CID23192680
Molecular FormulaC9H11ClO2S
Molecular Weight218.70 g/mol
Exact Mass218.02
IUPAC Name[4-(3-hydroxypropoxy)phenyl] thiohypochlorite
SMILESOCCCOc1ccc(SCl)cc1
InChIInChI=1S/C9H11ClO2S/c10-13-9-4-2-8(3-5-9)12-7-1-6-11/h2-5,11H,1,6-7H2
InChIKeyDDKGAZDSLWBUBY-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 103867882
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11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
3-[4-[N-(4-chlorophenyl)-4-(3-hydroxypropoxy)anilino]phenoxy]propan-1-ol
CID 59739465
3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
CID 54464679
CID 162335780
CID 162335780
3-[4-[2-(4-dodecoxyphenyl)ethynyl]phenoxy]propan-1-ol
CID 4556199
(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
CID 70878263
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
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9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxypropoxy)phenyl] thiohypochlorite?
The IUPAC name of [4-(3-hydroxypropoxy)phenyl] thiohypochlorite (CID 23192680) is [4-(3-hydroxypropoxy)phenyl] thiohypochlorite.
What is the SMILES notation for [4-(3-hydroxypropoxy)phenyl] thiohypochlorite?
The canonical SMILES for [4-(3-hydroxypropoxy)phenyl] thiohypochlorite is OCCCOc1ccc(SCl)cc1.
What is the InChIKey of [4-(3-hydroxypropoxy)phenyl] thiohypochlorite?
The InChIKey is DDKGAZDSLWBUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c10-13-9-4-2-8(3-5-9)12-7-1-6-11/h2-5,11H,1,6-7H2.
What are the key properties of [4-(3-hydroxypropoxy)phenyl] thiohypochlorite?
[4-(3-hydroxypropoxy)phenyl] thiohypochlorite has a molecular weight of 218.70 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxypropoxy)phenyl] thiohypochlorite is sourced from PubChem (CID 23192680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).