1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene

C28H26OS — CID 70431947

IUPAC1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene
SMILESCc1ccccc1-c1ccc(CS(=O)Cc2ccc(-c3ccccc3C)cc2)cc1
InChIInChI=1S/C28H26OS/c1-21-7-3-5-9-27(21)25-15-11-23(12-16-25)19-30(29)20-24-13-17-26(18-14-24)28-10-6-4-8-22(28)2/h3-18H,19-20H2,1-2H3
InChIKeyVJHKCUZRWSVEKV-UHFFFAOYSA-N
MW410.58 g/mol
LogP7.09
Rot. Bonds6

About 1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene

1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene (PubChem CID 70431947) has the molecular formula C28H26OS and a molecular weight of 410.58 g/mol. Its IUPAC name is 1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene
PubChem CID70431947
Molecular FormulaC28H26OS
Molecular Weight410.58 g/mol
Exact Mass410.17
IUPAC Name1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene
SMILESCc1ccccc1-c1ccc(CS(=O)Cc2ccc(-c3ccccc3C)cc2)cc1
InChIInChI=1S/C28H26OS/c1-21-7-3-5-9-27(21)25-15-11-23(12-16-25)19-30(29)20-24-13-17-26(18-14-24)28-10-6-4-8-22(28)2/h3-18H,19-20H2,1-2H3
InChIKeyVJHKCUZRWSVEKV-UHFFFAOYSA-N
XLogP7.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene
CID 166231145
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
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1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
CID 47022745
1-(benzylsulfinylmethyl)-4-(methylsulfinylmethyl)benzene
CID 139841360
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
(Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine
CID 145021228
1-(azidomethyl)-4-(2-methylphenyl)benzene
CID 59969178
(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride
CID 131883874
N-ethoxy-1-[4-(2-methylphenyl)phenyl]methanimine
CID 72558105

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene?
The IUPAC name of 1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene (CID 70431947) is 1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene?
The canonical SMILES for 1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene is Cc1ccccc1-c1ccc(CS(=O)Cc2ccc(-c3ccccc3C)cc2)cc1.
What is the InChIKey of 1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene?
The InChIKey is VJHKCUZRWSVEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26OS/c1-21-7-3-5-9-27(21)25-15-11-23(12-16-25)19-30(29)20-24-13-17-26(18-14-24)28-10-6-4-8-22(28)2/h3-18H,19-20H2,1-2H3.
What are the key properties of 1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene?
1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene has a molecular weight of 410.58 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene is sourced from PubChem (CID 70431947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).