[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone

C20H16O2S — CID 11450048

IUPAC[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone
SMILESCc1ccc(S(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C20H16O2S/c1-15-7-11-18(12-8-15)23(22)19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyJMURTTVPVUHUOP-UHFFFAOYSA-N
MW320.41 g/mol
LogP4.39
Rot. Bonds4

About [4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone

[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone (PubChem CID 11450048) has the molecular formula C20H16O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone
PubChem CID11450048
Molecular FormulaC20H16O2S
Molecular Weight320.41 g/mol
Exact Mass320.09
IUPAC Name[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone
SMILESCc1ccc(S(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C20H16O2S/c1-15-7-11-18(12-8-15)23(22)19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyJMURTTVPVUHUOP-UHFFFAOYSA-N
XLogP4.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
boric acid;2,3-dimethylbutane-2,3-diol;(4-methylphenyl)-phenylmethanone
CID 175517764
diphenylmethanone;ethane;toluene
CID 157406780
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047
phenyl-[4-(trideuteriomethyl)phenyl]methanone
CID 71750207
(4-methylphenyl)-phenylmethanone;prop-2-enoic acid
CID 175172073
[4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone
CID 169083095
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
3-benzoyl-4,4-dimethyl-2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one
CID 72696950
benzoic acid;4-methylbenzoic acid
CID 71272637
2-methylbenzene-1,3-dicarboxylic acid;(4-methylphenyl)-phenylmethanone
CID 174815281

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone?
The IUPAC name of [4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone (CID 11450048) is [4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone.
What is the SMILES notation for [4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone?
The canonical SMILES for [4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone is Cc1ccc(S(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone?
The InChIKey is JMURTTVPVUHUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2S/c1-15-7-11-18(12-8-15)23(22)19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of [4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone?
[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone has a molecular weight of 320.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone is sourced from PubChem (CID 11450048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).