3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde

C16H12Cl2O2S — CID 79227558

IUPAC3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OCC1Cc2ccccc2S1
InChIInChI=1S/C16H12Cl2O2S/c17-12-5-11(8-19)16(14(18)7-12)20-9-13-6-10-3-1-2-4-15(10)21-13/h1-5,7-8,13H,6,9H2
InChIKeyGZLGBYWSZIYDEQ-UHFFFAOYSA-N
MW339.24 g/mol
LogP4.90
Rot. Bonds4

About 3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde

3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde (PubChem CID 79227558) has the molecular formula C16H12Cl2O2S and a molecular weight of 339.24 g/mol. Its IUPAC name is 3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde
PubChem CID79227558
Molecular FormulaC16H12Cl2O2S
Molecular Weight339.24 g/mol
Exact Mass337.99
IUPAC Name3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OCC1Cc2ccccc2S1
InChIInChI=1S/C16H12Cl2O2S/c17-12-5-11(8-19)16(14(18)7-12)20-9-13-6-10-3-1-2-4-15(10)21-13/h1-5,7-8,13H,6,9H2
InChIKeyGZLGBYWSZIYDEQ-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 54.90
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-chloro-2,6-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403994
3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364358
2-chloro-6-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde
CID 79222737
2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79228154
3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
CID 102939681
3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
CID 18353665
2-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79222007
2-[[4-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79222684
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenol
CID 79221844
1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]propan-1-one
CID 79227434
[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine
CID 79212641

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde?
The IUPAC name of 3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde (CID 79227558) is 3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde is O=Cc1cc(Cl)cc(Cl)c1OCC1Cc2ccccc2S1.
What is the InChIKey of 3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde?
The InChIKey is GZLGBYWSZIYDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O2S/c17-12-5-11(8-19)16(14(18)7-12)20-9-13-6-10-3-1-2-4-15(10)21-13/h1-5,7-8,13H,6,9H2.
What are the key properties of 3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde?
3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde has a molecular weight of 339.24 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 79227558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).