3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde

C14H11FO2S — CID 106529577

IUPAC3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde
SMILESCSc1ccccc1Oc1cc(F)cc(C=O)c1
InChIInChI=1S/C14H11FO2S/c1-18-14-5-3-2-4-13(14)17-12-7-10(9-16)6-11(15)8-12/h2-9H,1H3
InChIKeySQXXFQBXSALOIV-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.15
Rot. Bonds4

About 3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde

3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde (PubChem CID 106529577) has the molecular formula C14H11FO2S and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde
PubChem CID106529577
Molecular FormulaC14H11FO2S
Molecular Weight262.31 g/mol
Exact Mass262.05
IUPAC Name3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde
SMILESCSc1ccccc1Oc1cc(F)cc(C=O)c1
InChIInChI=1S/C14H11FO2S/c1-18-14-5-3-2-4-13(14)17-12-7-10(9-16)6-11(15)8-12/h2-9H,1H3
InChIKeySQXXFQBXSALOIV-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.15
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-(2-bromophenoxy)-5-fluorobenzaldehyde
CID 106529469
3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde
CID 63647839
3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde
CID 114276742
3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 106529559
3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde
CID 106529572
3-(4-tert-butyl-2-methylphenoxy)-5-fluorobenzaldehyde
CID 106529538
3-(4-bromo-2-propan-2-ylphenoxy)-5-fluorobenzaldehyde
CID 106529597
3-fluoro-5-(4-fluoro-3-methylphenoxy)benzaldehyde
CID 106529596
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluorobenzaldehyde
CID 106529539
3-(4-bromo-3-methylphenoxy)-5-fluorobenzaldehyde
CID 106529601
3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzaldehyde
CID 141172743
4-(3-fluoro-5-formylphenoxy)benzonitrile
CID 104881312

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde?
The IUPAC name of 3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde (CID 106529577) is 3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde is CSc1ccccc1Oc1cc(F)cc(C=O)c1.
What is the InChIKey of 3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde?
The InChIKey is SQXXFQBXSALOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2S/c1-18-14-5-3-2-4-13(14)17-12-7-10(9-16)6-11(15)8-12/h2-9H,1H3.
What are the key properties of 3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde?
3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde has a molecular weight of 262.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde is sourced from PubChem (CID 106529577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).