4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde

C12H9FO2S — CID 107658905

IUPAC4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde
SMILESCc1cccc(Oc2csc(C=O)c2)c1F
InChIInChI=1S/C12H9FO2S/c1-8-3-2-4-11(12(8)13)15-9-5-10(6-14)16-7-9/h2-7H,1H3
InChIKeyAJIJGBBFVKNBBU-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.80
Rot. Bonds3

About 4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde

4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde (PubChem CID 107658905) has the molecular formula C12H9FO2S and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde
PubChem CID107658905
Molecular FormulaC12H9FO2S
Molecular Weight236.27 g/mol
Exact Mass236.03
IUPAC Name4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde
SMILESCc1cccc(Oc2csc(C=O)c2)c1F
InChIInChI=1S/C12H9FO2S/c1-8-3-2-4-11(12(8)13)15-9-5-10(6-14)16-7-9/h2-7H,1H3
InChIKeyAJIJGBBFVKNBBU-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-fluorophenoxy)thiophene-2-carbaldehyde
CID 23130605
4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
CID 63038344
5-(2-fluoro-3-methylphenoxy)furan-2-carbaldehyde
CID 107658903
1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone
CID 107658623
1-ethenoxy-2-fluoro-3-methylbenzene
CID 107657650
[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine
CID 107655131
5-(2-fluoro-3-methylphenoxy)-2-nitroaniline
CID 107662448
2-amino-5-(2-fluoro-3-methylphenoxy)benzamide
CID 107659972
N-[[4-(2-fluoro-3-methylphenoxy)phenyl]methyl]ethanamine
CID 107659654
5-(2-fluoro-3-methylphenoxy)-N-methylpyridin-3-amine
CID 107662735
(5-formylthiophen-3-yl)oxyboronic acid
CID 151815900
4-(2,3-difluoro-4-methylphenoxy)benzaldehyde
CID 173255133

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde?
The IUPAC name of 4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde (CID 107658905) is 4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde.
What is the SMILES notation for 4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde?
The canonical SMILES for 4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde is Cc1cccc(Oc2csc(C=O)c2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde?
The InChIKey is AJIJGBBFVKNBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2S/c1-8-3-2-4-11(12(8)13)15-9-5-10(6-14)16-7-9/h2-7H,1H3.
What are the key properties of 4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde?
4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenoxy)thiophene-2-carbaldehyde is sourced from PubChem (CID 107658905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).