(2-methyl-4-phenylsulfanylphenyl)-phenylmethanone

C20H16OS — CID 141421522

IUPAC(2-methyl-4-phenylsulfanylphenyl)-phenylmethanone
SMILESCc1cc(Sc2ccccc2)ccc1C(=O)c1ccccc1
InChIInChI=1S/C20H16OS/c1-15-14-18(22-17-10-6-3-7-11-17)12-13-19(15)20(21)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyJHFIYLIUIHOJPT-UHFFFAOYSA-N
MW304.41 g/mol
LogP5.38
Rot. Bonds4

About (2-methyl-4-phenylsulfanylphenyl)-phenylmethanone

(2-methyl-4-phenylsulfanylphenyl)-phenylmethanone (PubChem CID 141421522) has the molecular formula C20H16OS and a molecular weight of 304.41 g/mol. Its IUPAC name is (2-methyl-4-phenylsulfanylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-4-phenylsulfanylphenyl)-phenylmethanone
PubChem CID141421522
Molecular FormulaC20H16OS
Molecular Weight304.41 g/mol
Exact Mass304.09
IUPAC Name(2-methyl-4-phenylsulfanylphenyl)-phenylmethanone
SMILESCc1cc(Sc2ccccc2)ccc1C(=O)c1ccccc1
InChIInChI=1S/C20H16OS/c1-15-14-18(22-17-10-6-3-7-11-17)12-13-19(15)20(21)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyJHFIYLIUIHOJPT-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.41
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethyl-4-phenylsulfanylphenyl)-phenylmethanone
CID 175329078
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
2-methyl-4-naphthalen-2-ylsulfanylbenzoic acid
CID 81285230
[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone
CID 70168814
4-(3-chlorophenyl)sulfanyl-2-methylbenzoic acid
CID 81294140
[4-(4-methoxyphenyl)sulfanyl-2-methylsulfanylphenyl]-phenylmethanone
CID 174960866
2-methyl-4-(2-methylphenyl)sulfanylbenzoic acid
CID 81293580
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551
(2-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
[2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone
CID 175304883
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
1-(2-bromo-4-phenylsulfanylphenyl)ethanone
CID 66885963

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenylsulfanylphenyl)-phenylmethanone?
The IUPAC name of (2-methyl-4-phenylsulfanylphenyl)-phenylmethanone (CID 141421522) is (2-methyl-4-phenylsulfanylphenyl)-phenylmethanone.
What is the SMILES notation for (2-methyl-4-phenylsulfanylphenyl)-phenylmethanone?
The canonical SMILES for (2-methyl-4-phenylsulfanylphenyl)-phenylmethanone is Cc1cc(Sc2ccccc2)ccc1C(=O)c1ccccc1.
What is the InChIKey of (2-methyl-4-phenylsulfanylphenyl)-phenylmethanone?
The InChIKey is JHFIYLIUIHOJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16OS/c1-15-14-18(22-17-10-6-3-7-11-17)12-13-19(15)20(21)16-8-4-2-5-9-16/h2-14H,1H3.
What are the key properties of (2-methyl-4-phenylsulfanylphenyl)-phenylmethanone?
(2-methyl-4-phenylsulfanylphenyl)-phenylmethanone has a molecular weight of 304.41 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenylsulfanylphenyl)-phenylmethanone is sourced from PubChem (CID 141421522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).