4-(benzenesulfinyl)-2-methyl-1-phenylbenzene

C19H16OS — CID 130194344

IUPAC4-(benzenesulfinyl)-2-methyl-1-phenylbenzene
SMILESCc1cc(S(=O)c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C19H16OS/c1-15-14-18(21(20)17-10-6-3-7-11-17)12-13-19(15)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyBLGNTEDGAZSUQF-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.83
Rot. Bonds3

About 4-(benzenesulfinyl)-2-methyl-1-phenylbenzene

4-(benzenesulfinyl)-2-methyl-1-phenylbenzene (PubChem CID 130194344) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(benzenesulfinyl)-2-methyl-1-phenylbenzene.

Molecular Properties

Compound Name4-(benzenesulfinyl)-2-methyl-1-phenylbenzene
PubChem CID130194344
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name4-(benzenesulfinyl)-2-methyl-1-phenylbenzene
SMILESCc1cc(S(=O)c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C19H16OS/c1-15-14-18(21(20)17-10-6-3-7-11-17)12-13-19(15)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyBLGNTEDGAZSUQF-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfinyl)-2-methyl-1-phenylbenzene?
The IUPAC name of 4-(benzenesulfinyl)-2-methyl-1-phenylbenzene (CID 130194344) is 4-(benzenesulfinyl)-2-methyl-1-phenylbenzene.
What is the SMILES notation for 4-(benzenesulfinyl)-2-methyl-1-phenylbenzene?
The canonical SMILES for 4-(benzenesulfinyl)-2-methyl-1-phenylbenzene is Cc1cc(S(=O)c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of 4-(benzenesulfinyl)-2-methyl-1-phenylbenzene?
The InChIKey is BLGNTEDGAZSUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c1-15-14-18(21(20)17-10-6-3-7-11-17)12-13-19(15)16-8-4-2-5-9-16/h2-14H,1H3.
What are the key properties of 4-(benzenesulfinyl)-2-methyl-1-phenylbenzene?
4-(benzenesulfinyl)-2-methyl-1-phenylbenzene has a molecular weight of 292.40 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfinyl)-2-methyl-1-phenylbenzene is sourced from PubChem (CID 130194344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).