2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde

C14H11ClO2S — CID 114064188

IUPAC2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde
SMILESCSc1ccccc1Oc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C14H11ClO2S/c1-18-14-5-3-2-4-13(14)17-11-7-6-10(9-16)12(15)8-11/h2-9H,1H3
InChIKeyCKCURNRFPCZXTJ-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.67
Rot. Bonds4

About 2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde

2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde (PubChem CID 114064188) has the molecular formula C14H11ClO2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde
PubChem CID114064188
Molecular FormulaC14H11ClO2S
Molecular Weight278.76 g/mol
Exact Mass278.02
IUPAC Name2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde
SMILESCSc1ccccc1Oc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C14H11ClO2S/c1-18-14-5-3-2-4-13(14)17-11-7-6-10(9-16)12(15)8-11/h2-9H,1H3
InChIKeyCKCURNRFPCZXTJ-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde 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-Chlorobenzyl)oxy]benzaldehyde
CID 692382
4-(Benzyloxy)-2-chlorobenzaldehyde
CID 14034077
4-(3-Chlorophenoxy)benzaldehyde
CID 10847214
2-Chloro-4-ethoxybenzaldehyde
CID 17807719
2-Chloro-4-phenoxybenzaldehyde
CID 18942953
1-(4-Chlorophenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 44436329
S-(4-chlorophenyl) 4-methoxybenzenecarbothioate
CID 886434
2-Chloro-4-(propan-2-yloxy)benzaldehyde
CID 75355406
2-Chloro-4-cyclohexyloxybenzaldehyde
CID 87224710
3,7-Dichlorophenoxathiine-2,8-dicarbonyl fluoride
CID 19906726
2-Chloro-4-(4-fluorophenoxy)benzaldehyde
CID 23433306
4-(3-Chlorophenoxy)-3-fluorobenzaldehyde
CID 28604089

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde?
The IUPAC name of 2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde (CID 114064188) is 2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde?
The canonical SMILES for 2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde is CSc1ccccc1Oc1ccc(C=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde?
The InChIKey is CKCURNRFPCZXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2S/c1-18-14-5-3-2-4-13(14)17-11-7-6-10(9-16)12(15)8-11/h2-9H,1H3.
What are the key properties of 2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde?
2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde has a molecular weight of 278.76 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylsulfanylphenoxy)benzaldehyde is sourced from PubChem (CID 114064188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).