2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde

C20H16Cl2O3S — CID 87941334

IUPAC2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde
SMILESCOc1ccc(-c2cccs2)c(OC)c1C(C=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H16Cl2O3S/c1-24-16-9-8-12(17-7-4-10-26-17)20(25-2)19(16)13(11-23)18-14(21)5-3-6-15(18)22/h3-11,13H,1-2H3
InChIKeyUTOIUYHQJUWESZ-UHFFFAOYSA-N
MW407.32 g/mol
LogP6.07
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde

2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde (PubChem CID 87941334) has the molecular formula C20H16Cl2O3S and a molecular weight of 407.32 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde
PubChem CID87941334
Molecular FormulaC20H16Cl2O3S
Molecular Weight407.32 g/mol
Exact Mass406.02
IUPAC Name2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde
SMILESCOc1ccc(-c2cccs2)c(OC)c1C(C=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H16Cl2O3S/c1-24-16-9-8-12(17-7-4-10-26-17)20(25-2)19(16)13(11-23)18-14(21)5-3-6-15(18)22/h3-11,13H,1-2H3
InChIKeyUTOIUYHQJUWESZ-UHFFFAOYSA-N
XLogP6.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.32
LogP ≤ 56.07
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 2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde (CID 87941334) is 2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde is COc1ccc(-c2cccs2)c(OC)c1C(C=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde?
The InChIKey is UTOIUYHQJUWESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O3S/c1-24-16-9-8-12(17-7-4-10-26-17)20(25-2)19(16)13(11-23)18-14(21)5-3-6-15(18)22/h3-11,13H,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde?
2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde has a molecular weight of 407.32 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-(2,6-dimethoxy-3-thiophen-2-ylphenyl)acetaldehyde is sourced from PubChem (CID 87941334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).