2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde

C17H14O2S — CID 118578588

IUPAC2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde
SMILESO=CCc1cc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C17H14O2S/c18-9-8-16-10-14-6-7-15(11-17(14)20-16)19-12-13-4-2-1-3-5-13/h1-7,9-11H,8,12H2
InChIKeyVBYISQJYFWEKEG-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.22
Rot. Bonds5

About 2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde

2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde (PubChem CID 118578588) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde
PubChem CID118578588
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde
SMILESO=CCc1cc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C17H14O2S/c18-9-8-16-10-14-6-7-15(11-17(14)20-16)19-12-13-4-2-1-3-5-13/h1-7,9-11H,8,12H2
InChIKeyVBYISQJYFWEKEG-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.22
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-methoxy-6-phenylmethoxy-1-benzothiophene
CID 174512240
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
3-(5-phenylmethoxy-1-benzothiophen-2-yl)propanoic acid
CID 67664676
N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide
CID 24859715
2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine
CID 57244323
2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde
CID 118960659
6-phenylmethoxy-1,3-benzoxathiol-2-one
CID 10682625
2-oxo-6-phenylmethoxychromene-3-carbaldehyde
CID 135313712
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-bromo-6-phenylmethoxynaphthalene
CID 640595
6-phenylmethoxychromen-2-one
CID 59816113
N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde?
The IUPAC name of 2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde (CID 118578588) is 2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde?
The canonical SMILES for 2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde is O=CCc1cc2ccc(OCc3ccccc3)cc2s1.
What is the InChIKey of 2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde?
The InChIKey is VBYISQJYFWEKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c18-9-8-16-10-14-6-7-15(11-17(14)20-16)19-12-13-4-2-1-3-5-13/h1-7,9-11H,8,12H2.
What are the key properties of 2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde?
2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde has a molecular weight of 282.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde is sourced from PubChem (CID 118578588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).