1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene

C21H20OS — CID 78853458

IUPAC1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene
SMILESCC(c1ccccc1)S(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20OS/c1-17(19-8-4-2-5-9-19)23(22)16-18-12-14-21(15-13-18)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3
InChIKeyNWAYGBDGYOLJHZ-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.36
Rot. Bonds5

About 1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene

1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene (PubChem CID 78853458) has the molecular formula C21H20OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene.

Molecular Properties

Compound Name1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene
PubChem CID78853458
Molecular FormulaC21H20OS
Molecular Weight320.46 g/mol
Exact Mass320.12
IUPAC Name1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene
SMILESCC(c1ccccc1)S(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20OS/c1-17(19-8-4-2-5-9-19)23(22)16-18-12-14-21(15-13-18)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3
InChIKeyNWAYGBDGYOLJHZ-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-phenylethylsulfinylmethyl)benzoic acid
CID 123106924
butan-2-ylsulfinylmethylbenzene
CID 13450422
[(1R)-1-methylsulfinylethyl]benzene
CID 15685613
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
2-benzylsulfinyl-3-methylbutanoic acid
CID 61303941
3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 97236376
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
1-[(S)-2-methylpropylsulfinyl]-4-phenylbenzene
CID 139094070
(2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid
CID 142061345

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene?
The IUPAC name of 1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene (CID 78853458) is 1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene.
What is the SMILES notation for 1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene?
The canonical SMILES for 1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene is CC(c1ccccc1)S(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene?
The InChIKey is NWAYGBDGYOLJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20OS/c1-17(19-8-4-2-5-9-19)23(22)16-18-12-14-21(15-13-18)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3.
What are the key properties of 1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene?
1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene has a molecular weight of 320.46 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1-phenylethylsulfinylmethyl)benzene is sourced from PubChem (CID 78853458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).