1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene

C21H20S — CID 162410054

IUPAC1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
SMILESCc1ccc(SCCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20S/c1-17-7-13-21(14-8-17)22-16-15-18-9-11-20(12-10-18)19-5-3-2-4-6-19/h2-14H,15-16H2,1H3
InChIKeySYOFVYZFMIRYDQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP6.00
Rot. Bonds5

About 1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene

1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene (PubChem CID 162410054) has the molecular formula C21H20S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
PubChem CID162410054
Molecular FormulaC21H20S
Molecular Weight304.46 g/mol
Exact Mass304.13
IUPAC Name1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
SMILESCc1ccc(SCCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20S/c1-17-7-13-21(14-8-17)22-16-15-18-9-11-20(12-10-18)19-5-3-2-4-6-19/h2-14H,15-16H2,1H3
InChIKeySYOFVYZFMIRYDQ-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.46
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]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

1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
CID 132576482
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
1-benzylsulfanyl-4-methylbenzene
CID 10940369
1-methoxy-4-(2-phenylethylsulfanyl)benzene
CID 15739781
1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene
CID 162413618
2-[4-(2-phenylethylsulfanyl)phenyl]acetic acid
CID 64926976
1-methylsulfanyl-4-[(4-phenylphenyl)sulfanylmethyl]benzene
CID 130199319
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
3-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-5-(2-phenylethylsulfanyl)-1,2,4-triazole
CID 21013849
4-ethyl-3-[(4-methylphenyl)sulfanylmethyl]-5-(2-phenylethylsulfanyl)-1,2,4-triazole
CID 21013347
1-methyl-4-(3-phenoxypropylsulfanyl)benzene
CID 101473758

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene?
The IUPAC name of 1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene (CID 162410054) is 1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene?
The canonical SMILES for 1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene is Cc1ccc(SCCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene?
The InChIKey is SYOFVYZFMIRYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20S/c1-17-7-13-21(14-8-17)22-16-15-18-9-11-20(12-10-18)19-5-3-2-4-6-19/h2-14H,15-16H2,1H3.
What are the key properties of 1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene?
1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene has a molecular weight of 304.46 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene is sourced from PubChem (CID 162410054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).