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

C16H15FOS — CID 18779868

IUPAC(4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone
SMILESCCc1ccc(C(=O)c2ccc(F)cc2CS)cc1
InChIInChI=1S/C16H15FOS/c1-2-11-3-5-12(6-4-11)16(18)15-8-7-14(17)9-13(15)10-19/h3-9,19H,2,10H2,1H3
InChIKeyURENMFOAXZGWRW-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.05
Rot. Bonds4

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

(4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone (PubChem CID 18779868) has the molecular formula C16H15FOS and a molecular weight of 274.36 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone
PubChem CID18779868
Molecular FormulaC16H15FOS
Molecular Weight274.36 g/mol
Exact Mass274.08
IUPAC Name(4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone
SMILESCCc1ccc(C(=O)c2ccc(F)cc2CS)cc1
InChIInChI=1S/C16H15FOS/c1-2-11-3-5-12(6-4-11)16(18)15-8-7-14(17)9-13(15)10-19/h3-9,19H,2,10H2,1H3
InChIKeyURENMFOAXZGWRW-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.05
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-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone
CID 18779874
(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
CID 113417691
(4-ethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43160562
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157
2-ethyl-4-fluorobenzoic acid
CID 22101376
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205
(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
CID 20687997
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
CID 43161390
(4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone
CID 142346574
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone (CID 18779868) is (4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone is CCc1ccc(C(=O)c2ccc(F)cc2CS)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone?
The InChIKey is URENMFOAXZGWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FOS/c1-2-11-3-5-12(6-4-11)16(18)15-8-7-14(17)9-13(15)10-19/h3-9,19H,2,10H2,1H3.
What are the key properties of (4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone?
(4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone has a molecular weight of 274.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone is sourced from PubChem (CID 18779868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).