2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde

C14H11FO2S — CID 12815914

IUPAC2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde
SMILESCOc1ccc(Sc2ccccc2F)c(C=O)c1
InChIInChI=1S/C14H11FO2S/c1-17-11-6-7-13(10(8-11)9-16)18-14-5-3-2-4-12(14)15/h2-9H,1H3
InChIKeyYGEABLLZDFADJB-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.80
Rot. Bonds4

About 2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde

2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde (PubChem CID 12815914) has the molecular formula C14H11FO2S and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde
PubChem CID12815914
Molecular FormulaC14H11FO2S
Molecular Weight262.31 g/mol
Exact Mass262.05
IUPAC Name2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde
SMILESCOc1ccc(Sc2ccccc2F)c(C=O)c1
InChIInChI=1S/C14H11FO2S/c1-17-11-6-7-13(10(8-11)9-16)18-14-5-3-2-4-12(14)15/h2-9H,1H3
InChIKeyYGEABLLZDFADJB-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde (CID 12815914) is 2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde is COc1ccc(Sc2ccccc2F)c(C=O)c1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde?
The InChIKey is YGEABLLZDFADJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2S/c1-17-11-6-7-13(10(8-11)9-16)18-14-5-3-2-4-12(14)15/h2-9H,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde?
2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-5-methoxybenzaldehyde is sourced from PubChem (CID 12815914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).