[4-(2-formylphenoxy)phenyl] thiohypochlorite

C13H9ClO2S — CID 19422253

IUPAC[4-(2-formylphenoxy)phenyl] thiohypochlorite
SMILESO=Cc1ccccc1Oc1ccc(SCl)cc1
InChIInChI=1S/C13H9ClO2S/c14-17-12-7-5-11(6-8-12)16-13-4-2-1-3-10(13)9-15/h1-9H
InChIKeyBFTDOIUMIPWMBA-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.54
Rot. Bonds4

About [4-(2-formylphenoxy)phenyl] thiohypochlorite

[4-(2-formylphenoxy)phenyl] thiohypochlorite (PubChem CID 19422253) has the molecular formula C13H9ClO2S and a molecular weight of 264.73 g/mol. Its IUPAC name is [4-(2-formylphenoxy)phenyl] thiohypochlorite.

Molecular Properties

Compound Name[4-(2-formylphenoxy)phenyl] thiohypochlorite
PubChem CID19422253
Molecular FormulaC13H9ClO2S
Molecular Weight264.73 g/mol
Exact Mass264.00
IUPAC Name[4-(2-formylphenoxy)phenyl] thiohypochlorite
SMILESO=Cc1ccccc1Oc1ccc(SCl)cc1
InChIInChI=1S/C13H9ClO2S/c14-17-12-7-5-11(6-8-12)16-13-4-2-1-3-10(13)9-15/h1-9H
InChIKeyBFTDOIUMIPWMBA-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)benzaldehyde
CID 28604058
2-[4-(2-phenylethenyl)phenoxy]benzaldehyde
CID 57248486
2-pyridin-4-yloxybenzaldehyde
CID 72943025
2-(4-ethylphenoxy)benzaldehyde
CID 29041486
2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium
CID 59047780
2,4-diphenoxybenzaldehyde
CID 87301631
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 55224942
2-fluoro-5-(2-formylphenoxy)benzonitrile
CID 90204991
3-(2-formylphenoxy)benzonitrile
CID 28603906
3-[[4-[4-[(3-formyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-2-hydroxybenzaldehyde
CID 137256651
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-[(2-oxo-1,3-benzoxathiol-6-yl)oxy]benzaldehyde
CID 28603862

Frequently Asked Questions

What is the IUPAC name of [4-(2-formylphenoxy)phenyl] thiohypochlorite?
The IUPAC name of [4-(2-formylphenoxy)phenyl] thiohypochlorite (CID 19422253) is [4-(2-formylphenoxy)phenyl] thiohypochlorite.
What is the SMILES notation for [4-(2-formylphenoxy)phenyl] thiohypochlorite?
The canonical SMILES for [4-(2-formylphenoxy)phenyl] thiohypochlorite is O=Cc1ccccc1Oc1ccc(SCl)cc1.
What is the InChIKey of [4-(2-formylphenoxy)phenyl] thiohypochlorite?
The InChIKey is BFTDOIUMIPWMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2S/c14-17-12-7-5-11(6-8-12)16-13-4-2-1-3-10(13)9-15/h1-9H.
What are the key properties of [4-(2-formylphenoxy)phenyl] thiohypochlorite?
[4-(2-formylphenoxy)phenyl] thiohypochlorite has a molecular weight of 264.73 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-formylphenoxy)phenyl] thiohypochlorite is sourced from PubChem (CID 19422253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).