1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene

C22H22OS — CID 10616738

IUPAC1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene
SMILESCc1ccc(SCC(OCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22OS/c1-18-12-14-21(15-13-18)24-17-22(20-10-6-3-7-11-20)23-16-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3
InChIKeyFMOUOZRKBKOQCG-UHFFFAOYSA-N
MW334.48 g/mol
LogP6.05
Rot. Bonds7

About 1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene

1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene (PubChem CID 10616738) has the molecular formula C22H22OS and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene.

Molecular Properties

Compound Name1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene
PubChem CID10616738
Molecular FormulaC22H22OS
Molecular Weight334.48 g/mol
Exact Mass334.14
IUPAC Name1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene
SMILESCc1ccc(SCC(OCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22OS/c1-18-12-14-21(15-13-18)24-17-22(20-10-6-3-7-11-20)23-16-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3
InChIKeyFMOUOZRKBKOQCG-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene?
The IUPAC name of 1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene (CID 10616738) is 1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene.
What is the SMILES notation for 1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene?
The canonical SMILES for 1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene is Cc1ccc(SCC(OCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene?
The InChIKey is FMOUOZRKBKOQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22OS/c1-18-12-14-21(15-13-18)24-17-22(20-10-6-3-7-11-20)23-16-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3.
What are the key properties of 1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene?
1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene has a molecular weight of 334.48 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene is sourced from PubChem (CID 10616738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).