3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde

C15H14O2S — CID 63647839

IUPAC3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde
SMILESCSc1ccccc1Oc1ccc(C=O)cc1C
InChIInChI=1S/C15H14O2S/c1-11-9-12(10-16)7-8-13(11)17-14-5-3-4-6-15(14)18-2/h3-10H,1-2H3
InChIKeyFXQCMGICRLNBTM-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.32
Rot. Bonds4

About 3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde

3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde (PubChem CID 63647839) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde.

Molecular Properties

Compound Name3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde
PubChem CID63647839
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde
SMILESCSc1ccccc1Oc1ccc(C=O)cc1C
InChIInChI=1S/C15H14O2S/c1-11-9-12(10-16)7-8-13(11)17-14-5-3-4-6-15(14)18-2/h3-10H,1-2H3
InChIKeyFXQCMGICRLNBTM-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.32
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

3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde
CID 106529577
3-methyl-4-naphthalen-2-yloxybenzaldehyde
CID 63535815
3-methyl-4-(2-methyl-3-nitrophenoxy)benzaldehyde
CID 62120574
4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde
CID 62122305
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-methylbenzaldehyde
CID 63534294
3-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 54794840
3-(4-formyl-2-methylphenoxy)benzonitrile
CID 62121795
3-methyl-4-(trifluoromethoxy)benzaldehyde
CID 88929764
3-methyl-4-pyrazin-2-yloxybenzaldehyde
CID 91569099
2-(4-chloro-2-methylphenoxy)benzaldehyde
CID 30054969
2-(chloromethyl)-4-fluoro-1-(2-methylsulfanylphenoxy)benzene
CID 55246542
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde?
The IUPAC name of 3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde (CID 63647839) is 3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde.
What is the SMILES notation for 3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde?
The canonical SMILES for 3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde is CSc1ccccc1Oc1ccc(C=O)cc1C.
What is the InChIKey of 3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde?
The InChIKey is FXQCMGICRLNBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-11-9-12(10-16)7-8-13(11)17-14-5-3-4-6-15(14)18-2/h3-10H,1-2H3.
What are the key properties of 3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde?
3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde has a molecular weight of 258.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde is sourced from PubChem (CID 63647839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).