(2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone

C20H15FOS — CID 151592012

IUPAC(2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C20H15FOS/c21-17-12-10-16(11-13-17)20(22)18-8-4-5-9-19(18)23-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyQIRQGONRHQSWAR-UHFFFAOYSA-N
MW322.40 g/mol
LogP5.35
Rot. Bonds5

About (2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone

(2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone (PubChem CID 151592012) has the molecular formula C20H15FOS and a molecular weight of 322.40 g/mol. Its IUPAC name is (2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone
PubChem CID151592012
Molecular FormulaC20H15FOS
Molecular Weight322.40 g/mol
Exact Mass322.08
IUPAC Name(2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C20H15FOS/c21-17-12-10-16(11-13-17)20(22)18-8-4-5-9-19(18)23-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyQIRQGONRHQSWAR-UHFFFAOYSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.40
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone
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4-benzylsulfanyl-3-fluorobenzoic acid
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1-(2-benzylsulfanylphenyl)propan-1-one
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2-benzylsulfanyl-N-cyclopropylbenzamide
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(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
(4-fluorophenyl)-phenylmethanone
CID 161464622
(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone
CID 70476980
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(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188

Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone (CID 151592012) is (2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccccc1SCc1ccccc1.
What is the InChIKey of (2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone?
The InChIKey is QIRQGONRHQSWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FOS/c21-17-12-10-16(11-13-17)20(22)18-8-4-5-9-19(18)23-14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of (2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone?
(2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone has a molecular weight of 322.40 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 151592012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).