4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde

C16H11ClO2S — CID 63743151

IUPAC4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCc2csc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H11ClO2S/c17-14-7-11(8-18)5-6-15(14)19-9-12-10-20-16-4-2-1-3-13(12)16/h1-8,10H,9H2
InChIKeyUOWKQFQBERJNEO-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.95
Rot. Bonds4

About 4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde

4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde (PubChem CID 63743151) has the molecular formula C16H11ClO2S and a molecular weight of 302.78 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde.

Molecular Properties

Compound Name4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde
PubChem CID63743151
Molecular FormulaC16H11ClO2S
Molecular Weight302.78 g/mol
Exact Mass302.02
IUPAC Name4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCc2csc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H11ClO2S/c17-14-7-11(8-18)5-6-15(14)19-9-12-10-20-16-4-2-1-3-13(12)16/h1-8,10H,9H2
InChIKeyUOWKQFQBERJNEO-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.95
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

4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde
CID 107689565
4-(1-benzothiophen-3-ylmethoxy)-3,5-dibromobenzaldehyde
CID 107738165
[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine
CID 63743324
3-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-1-benzothiophene
CID 63739324
3-[(2-bromo-4-methylphenoxy)methyl]-1-benzothiophene
CID 63742992
2-(1-benzothiophen-3-ylmethoxy)-4-chlorobenzoic acid
CID 63744829
4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde
CID 155818963
3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117170894
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
4-(1-benzothiophen-3-ylmethoxy)-2-chloroaniline
CID 55230322
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-6-amine
CID 117178087
3-chloro-4-[(2-chloro-4-formylphenoxy)methyl]benzonitrile
CID 102666727

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde?
The IUPAC name of 4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde (CID 63743151) is 4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde.
What is the SMILES notation for 4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde?
The canonical SMILES for 4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde is O=Cc1ccc(OCc2csc3ccccc23)c(Cl)c1.
What is the InChIKey of 4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde?
The InChIKey is UOWKQFQBERJNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2S/c17-14-7-11(8-18)5-6-15(14)19-9-12-10-20-16-4-2-1-3-13(12)16/h1-8,10H,9H2.
What are the key properties of 4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde?
4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde has a molecular weight of 302.78 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde is sourced from PubChem (CID 63743151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).