[4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone

C15H13FOS — CID 18779874

IUPAC[4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)cc2CS)cc1
InChIInChI=1S/C15H13FOS/c1-10-2-4-11(5-3-10)15(17)14-7-6-13(16)8-12(14)9-18/h2-8,18H,9H2,1H3
InChIKeyQGTCRJCYTVEWMN-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.79
Rot. Bonds3

About [4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone

[4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone (PubChem CID 18779874) has the molecular formula C15H13FOS and a molecular weight of 260.33 g/mol. Its IUPAC name is [4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone
PubChem CID18779874
Molecular FormulaC15H13FOS
Molecular Weight260.33 g/mol
Exact Mass260.07
IUPAC Name[4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)cc2CS)cc1
InChIInChI=1S/C15H13FOS/c1-10-2-4-11(5-3-10)15(17)14-7-6-13(16)8-12(14)9-18/h2-8,18H,9H2,1H3
InChIKeyQGTCRJCYTVEWMN-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone
CID 18779868
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
CID 20687997
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
bis[2-(aminomethyl)-4-fluorophenyl]methanone
CID 67036129
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
1-[4-fluoro-2-(methylaminomethyl)phenyl]ethanone
CID 144854306
(5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone
CID 102584470
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
CID 113417691

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone (CID 18779874) is [4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(F)cc2CS)cc1.
What is the InChIKey of [4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone?
The InChIKey is QGTCRJCYTVEWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FOS/c1-10-2-4-11(5-3-10)15(17)14-7-6-13(16)8-12(14)9-18/h2-8,18H,9H2,1H3.
What are the key properties of [4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone?
[4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone has a molecular weight of 260.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 18779874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).