2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde

C19H15FO2S — CID 87941396

IUPAC2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde
SMILESCOc1ccc(-c2cccs2)cc1C(C=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FO2S/c1-22-18-9-6-14(19-3-2-10-23-19)11-16(18)17(12-21)13-4-7-15(20)8-5-13/h2-12,17H,1H3
InChIKeyQPKUAKIRNNOZIW-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.89
Rot. Bonds5

About 2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde

2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde (PubChem CID 87941396) has the molecular formula C19H15FO2S and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde
PubChem CID87941396
Molecular FormulaC19H15FO2S
Molecular Weight326.39 g/mol
Exact Mass326.08
IUPAC Name2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde
SMILESCOc1ccc(-c2cccs2)cc1C(C=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FO2S/c1-22-18-9-6-14(19-3-2-10-23-19)11-16(18)17(12-21)13-4-7-15(20)8-5-13/h2-12,17H,1H3
InChIKeyQPKUAKIRNNOZIW-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.89
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-(4-Methoxy-3-Thiophen-2-Yl-Phenyl)ethanoic Acid
CID 118703104
2-(4-Methoxy-3-Thiophen-3-Yl-Phenyl)ethanoic Acid
CID 118703105
(2-Methoxyphenyl)-[3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
CID 145989245
(E)-3-(4-Ethoxy-3-fluoro-phenyl)-1-(2-methoxy-5-thiophen-2-yl-phenyl)-propenone
CID 22025563
(E)-1-(4-Methoxy-phenyl)-3-(2-methoxy-5-thiophen-2-yl-phenyl)-propenone
CID 22025587
6-(3-Fluoro-4-methoxyphenyl)-2-thiophen-3-ylchromen-4-one
CID 44202178
(E)-3-(2-Methoxy-5-thiophen-2-yl-phenyl)-1-phenyl-propenone
CID 44284792
4-(4-Methoxyphenyl)-2-thiophenecarbaldehyde
CID 11206736
3-Fluoro-6-thiophen-2-ylchromen-4-one
CID 146169508
3-(2-Fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one
CID 139262387
(e)-1-(4-Methoxy-3-(trifluoromethyl)phenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 170838367
2-(4-Methoxyphenyl)-2-(5-methylthiophen-2-yl)-2-phenylacetaldehyde
CID 139255802

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde (CID 87941396) is 2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde is COc1ccc(-c2cccs2)cc1C(C=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde?
The InChIKey is QPKUAKIRNNOZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO2S/c1-22-18-9-6-14(19-3-2-10-23-19)11-16(18)17(12-21)13-4-7-15(20)8-5-13/h2-12,17H,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde?
2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde has a molecular weight of 326.39 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)acetaldehyde is sourced from PubChem (CID 87941396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).