6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde

C17H14O3S — CID 10063271

IUPAC6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2C=O)cc1
InChIInChI=1S/C17H14O3S/c1-19-12-5-3-11(4-6-12)17-15(10-18)14-8-7-13(20-2)9-16(14)21-17/h3-10H,1-2H3
InChIKeyFHEMIZVABMWANQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.40
Rot. Bonds4

About 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde

6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde (PubChem CID 10063271) has the molecular formula C17H14O3S and a molecular weight of 298.36 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde
PubChem CID10063271
Molecular FormulaC17H14O3S
Molecular Weight298.36 g/mol
Exact Mass298.07
IUPAC Name6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2C=O)cc1
InChIInChI=1S/C17H14O3S/c1-19-12-5-3-11(4-6-12)17-15(10-18)14-8-7-13(20-2)9-16(14)21-17/h3-10H,1-2H3
InChIKeyFHEMIZVABMWANQ-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde (CID 10063271) is 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde is COc1ccc(-c2sc3cc(OC)ccc3c2C=O)cc1.
What is the InChIKey of 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde?
The InChIKey is FHEMIZVABMWANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3S/c1-19-12-5-3-11(4-6-12)17-15(10-18)14-8-7-13(20-2)9-16(14)21-17/h3-10H,1-2H3.
What are the key properties of 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde?
6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde has a molecular weight of 298.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 10063271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).