4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde

C13H11ClO2S — CID 19621675

IUPAC4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1COc1ccccc1Cl
InChIInChI=1S/C13H11ClO2S/c1-9-10(6-11(7-15)17-9)8-16-13-5-3-2-4-12(13)14/h2-7H,8H2,1H3
InChIKeyVWDIGOHPYOCAHJ-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.10
Rot. Bonds4

About 4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde

4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde (PubChem CID 19621675) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde
PubChem CID19621675
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1COc1ccccc1Cl
InChIInChI=1S/C13H11ClO2S/c1-9-10(6-11(7-15)17-9)8-16-13-5-3-2-4-12(13)14/h2-7H,8H2,1H3
InChIKeyVWDIGOHPYOCAHJ-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2-chlorophenoxy)methyl]-5-methylthiophene-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-[(2-bromophenoxy)methyl]-5-methylthiophene-2-carbaldehyde
CID 726877
5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde
CID 726878
4-[(2-chlorophenoxy)methyl]thiophene-2-carbaldehyde
CID 19621674
[(Z)-[4-[(2-chloro-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea
CID 6016603
[(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea
CID 6271003
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
N-[[4-[(3-chloro-2-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 116690376
N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 7601142
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
1-chloro-2-[(2-ethenylphenyl)methoxy]benzene
CID 70539652
4-[(3-chloro-2-formylphenoxy)methyl]-3-methylbenzonitrile
CID 114482390
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde (CID 19621675) is 4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde is Cc1sc(C=O)cc1COc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde?
The InChIKey is VWDIGOHPYOCAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c1-9-10(6-11(7-15)17-9)8-16-13-5-3-2-4-12(13)14/h2-7H,8H2,1H3.
What are the key properties of 4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde?
4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde has a molecular weight of 266.75 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde is sourced from PubChem (CID 19621675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).