7-phenylmethoxy-1-benzothiophene-4-carbaldehyde

C16H12O2S — CID 22647611

IUPAC7-phenylmethoxy-1-benzothiophene-4-carbaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)c2sccc12
InChIInChI=1S/C16H12O2S/c17-10-13-6-7-15(16-14(13)8-9-19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyBEOWNAJAPVJDQN-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.29
Rot. Bonds4

About 7-phenylmethoxy-1-benzothiophene-4-carbaldehyde

7-phenylmethoxy-1-benzothiophene-4-carbaldehyde (PubChem CID 22647611) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 7-phenylmethoxy-1-benzothiophene-4-carbaldehyde.

Molecular Properties

Compound Name7-phenylmethoxy-1-benzothiophene-4-carbaldehyde
PubChem CID22647611
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name7-phenylmethoxy-1-benzothiophene-4-carbaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)c2sccc12
InChIInChI=1S/C16H12O2S/c17-10-13-6-7-15(16-14(13)8-9-19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyBEOWNAJAPVJDQN-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.29
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

8-phenylmethoxypyrene-1-carbaldehyde
CID 19738636
methyl 4-formyl-7-phenylmethoxy-1-benzothiophene-2-carboxylate
CID 174245692
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196
2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
CID 164892231
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
3,4-bis(phenylmethoxy)-2-(trifluoromethyl)benzaldehyde;ethane
CID 142839879
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde
CID 172650288
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735

Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-1-benzothiophene-4-carbaldehyde?
The IUPAC name of 7-phenylmethoxy-1-benzothiophene-4-carbaldehyde (CID 22647611) is 7-phenylmethoxy-1-benzothiophene-4-carbaldehyde.
What is the SMILES notation for 7-phenylmethoxy-1-benzothiophene-4-carbaldehyde?
The canonical SMILES for 7-phenylmethoxy-1-benzothiophene-4-carbaldehyde is O=Cc1ccc(OCc2ccccc2)c2sccc12.
What is the InChIKey of 7-phenylmethoxy-1-benzothiophene-4-carbaldehyde?
The InChIKey is BEOWNAJAPVJDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c17-10-13-6-7-15(16-14(13)8-9-19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 7-phenylmethoxy-1-benzothiophene-4-carbaldehyde?
7-phenylmethoxy-1-benzothiophene-4-carbaldehyde has a molecular weight of 268.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-1-benzothiophene-4-carbaldehyde is sourced from PubChem (CID 22647611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).