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

C21H20OS — CID 132576482

IUPAC1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
SMILESCOc1ccc(SCCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20OS/c1-22-20-11-13-21(14-12-20)23-16-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3
InChIKeyOGTCIFMMETVJJO-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.70
Rot. Bonds6

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

1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene (PubChem CID 132576482) has the molecular formula C21H20OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
PubChem CID132576482
Molecular FormulaC21H20OS
Molecular Weight320.46 g/mol
Exact Mass320.12
IUPAC Name1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
SMILESCOc1ccc(SCCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20OS/c1-22-20-11-13-21(14-12-20)23-16-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3
InChIKeyOGTCIFMMETVJJO-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(2-phenylethylsulfanyl)benzene
CID 15739781
1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
CID 162410054
1-[4-[2-(4-methoxyphenyl)ethylsulfanyl]phenyl]ethanamine
CID 65445004
1-methoxy-4-(3-phenylpropylsulfanyl)benzene;methyl acetate
CID 70396205
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-butoxy-4-(2-phenylsulfanylethyl)benzene;pentahydrofluoride
CID 67939398
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline
CID 79149182
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene?
The IUPAC name of 1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene (CID 132576482) is 1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene?
The canonical SMILES for 1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene is COc1ccc(SCCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene?
The InChIKey is OGTCIFMMETVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20OS/c1-22-20-11-13-21(14-12-20)23-16-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3.
What are the key properties of 1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene?
1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene has a molecular weight of 320.46 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene is sourced from PubChem (CID 132576482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).