(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone

C14H11FOS — CID 70476980

IUPAC(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone
SMILESCSc1cc(F)ccc1C(=O)c1ccccc1
InChIInChI=1S/C14H11FOS/c1-17-13-9-11(15)7-8-12(13)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyXQKHGNXBWPWLMH-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.78
Rot. Bonds3

About (4-fluoro-2-methylsulfanylphenyl)-phenylmethanone

(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone (PubChem CID 70476980) has the molecular formula C14H11FOS and a molecular weight of 246.31 g/mol. Its IUPAC name is (4-fluoro-2-methylsulfanylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone
PubChem CID70476980
Molecular FormulaC14H11FOS
Molecular Weight246.31 g/mol
Exact Mass246.05
IUPAC Name(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone
SMILESCSc1cc(F)ccc1C(=O)c1ccccc1
InChIInChI=1S/C14H11FOS/c1-17-13-9-11(15)7-8-12(13)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyXQKHGNXBWPWLMH-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
[4-(4-methoxyphenyl)sulfanyl-2-methylsulfanylphenyl]-phenylmethanone
CID 174960866
[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone
CID 157369619
4-fluoro-2-(2-methylsulfanylphenyl)benzoic acid
CID 53226362
(2-chloro-4-fluorophenyl)-(4-methyl-2-methylsulfanylphenyl)methanone
CID 142346682
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597
(4-fluorophenyl)-phenylmethanone
CID 161464622
(2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone
CID 151592012
(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 114963550
(3-bromo-4-methylsulfanylphenyl)-phenylmethanone
CID 90305373
N-(2-benzoyl-4-fluorophenyl)formamide
CID 168651173

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylsulfanylphenyl)-phenylmethanone?
The IUPAC name of (4-fluoro-2-methylsulfanylphenyl)-phenylmethanone (CID 70476980) is (4-fluoro-2-methylsulfanylphenyl)-phenylmethanone.
What is the SMILES notation for (4-fluoro-2-methylsulfanylphenyl)-phenylmethanone?
The canonical SMILES for (4-fluoro-2-methylsulfanylphenyl)-phenylmethanone is CSc1cc(F)ccc1C(=O)c1ccccc1.
What is the InChIKey of (4-fluoro-2-methylsulfanylphenyl)-phenylmethanone?
The InChIKey is XQKHGNXBWPWLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FOS/c1-17-13-9-11(15)7-8-12(13)14(16)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of (4-fluoro-2-methylsulfanylphenyl)-phenylmethanone?
(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone has a molecular weight of 246.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylsulfanylphenyl)-phenylmethanone is sourced from PubChem (CID 70476980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).