[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone

C19H13FOS — CID 157369619

IUPAC[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1Sc1ccc(F)cc1
InChIInChI=1S/C19H13FOS/c20-15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)19(21)14-6-2-1-3-7-14/h1-13H
InChIKeyPLAYHTTWWITYNH-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.21
Rot. Bonds4

About [2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone

[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone (PubChem CID 157369619) has the molecular formula C19H13FOS and a molecular weight of 308.38 g/mol. Its IUPAC name is [2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone
PubChem CID157369619
Molecular FormulaC19H13FOS
Molecular Weight308.38 g/mol
Exact Mass308.07
IUPAC Name[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1Sc1ccc(F)cc1
InChIInChI=1S/C19H13FOS/c20-15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)19(21)14-6-2-1-3-7-14/h1-13H
InChIKeyPLAYHTTWWITYNH-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)sulfanylbenzoic acid
CID 14418768
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
[3-chloro-4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 71231895
(2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone
CID 151592012
bis[2-(4-aminophenyl)sulfanylphenyl]methanone
CID 67895042
(4-fluorophenyl)-phenylmethanone
CID 161464622
(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone
CID 70476980
[[4-(2-benzoylphenyl)sulfanylphenyl]-bis(4-chlorophenyl)-λ4-sulfanyl] perchlorate
CID 139989936
[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
CID 174908112
[4-[4-(2-chlorobenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium
CID 58693361
(2,3-dimethyl-4-phenylsulfanylphenyl)-phenylmethanone
CID 175329078
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone?
The IUPAC name of [2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone (CID 157369619) is [2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone.
What is the SMILES notation for [2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone?
The canonical SMILES for [2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1Sc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone?
The InChIKey is PLAYHTTWWITYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FOS/c20-15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)19(21)14-6-2-1-3-7-14/h1-13H.
What are the key properties of [2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone?
[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone has a molecular weight of 308.38 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone is sourced from PubChem (CID 157369619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).