2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol

C44H36O2S2 — CID 142823589

IUPAC2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol
SMILESCSc1ccccc1-c1cccc(-c2ccccc2)c1O.Oc1c(-c2ccccc2)cccc1-c1ccccc1SCc1ccccc1
InChIInChI=1S/C25H20OS.C19H16OS/c26-25-21(20-12-5-2-6-13-20)15-9-16-23(25)22-14-7-8-17-24(22)27-18-19-10-3-1-4-11-19;1-21-18-13-6-5-10-16(18)17-12-7-11-15(19(17)20)14-8-3-2-4-9-14/h1-17,26H,18H2;2-13,20H,1H3
InChIKeyGFCSVXYZIJKMFM-UHFFFAOYSA-N
MW660.90 g/mol
LogP12.47
Rot. Bonds8

About 2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol

2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol (PubChem CID 142823589) has the molecular formula C44H36O2S2 and a molecular weight of 660.90 g/mol. Its IUPAC name is 2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol.

Molecular Properties

Compound Name2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol
PubChem CID142823589
Molecular FormulaC44H36O2S2
Molecular Weight660.90 g/mol
Exact Mass660.22
IUPAC Name2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol
SMILESCSc1ccccc1-c1cccc(-c2ccccc2)c1O.Oc1c(-c2ccccc2)cccc1-c1ccccc1SCc1ccccc1
InChIInChI=1S/C25H20OS.C19H16OS/c26-25-21(20-12-5-2-6-13-20)15-9-16-23(25)22-14-7-8-17-24(22)27-18-19-10-3-1-4-11-19;1-21-18-13-6-5-10-16(18)17-12-7-11-15(19(17)20)14-8-3-2-4-9-14/h1-17,26H,18H2;2-13,20H,1H3
InChIKeyGFCSVXYZIJKMFM-UHFFFAOYSA-N
XLogP12.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.90
LogP ≤ 512.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylmethyl]phenyl]methylsulfanyl]phenyl]-6-phenylphenol
CID 20749719
2-(2-methylsulfanylphenyl)-6-phenylphenol
CID 142823591
1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
2-[3-(2-methylsulfanylphenyl)phenyl]ethanol
CID 143123494
3-(3-benzylsulfanyl-2-methylphenyl)pyridine
CID 67155182
4-benzylsulfanyl-2,3-dihydroxycyclohepta-2,4,6-trien-1-one
CID 155718904
(1R)-1-(2-benzylsulfanylphenyl)ethanol
CID 63812589
4-benzylsulfanyl-3-phenyl-1-benzofuran
CID 91242515
1-benzylsulfanyl-2-propan-2-ylbenzene
CID 54415712
(2-hydroxy-3-phenylphenyl) thiohypochlorite
CID 22013533
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
1-benzylsulfanyl-2-(2-methylpropyl)benzene
CID 57222449

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol?
The IUPAC name of 2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol (CID 142823589) is 2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol.
What is the SMILES notation for 2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol?
The canonical SMILES for 2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol is CSc1ccccc1-c1cccc(-c2ccccc2)c1O.Oc1c(-c2ccccc2)cccc1-c1ccccc1SCc1ccccc1.
What is the InChIKey of 2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol?
The InChIKey is GFCSVXYZIJKMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20OS.C19H16OS/c26-25-21(20-12-5-2-6-13-20)15-9-16-23(25)22-14-7-8-17-24(22)27-18-19-10-3-1-4-11-19;1-21-18-13-6-5-10-16(18)17-12-7-11-15(19(17)20)14-8-3-2-4-9-14/h1-17,26H,18H2;2-13,20H,1H3.
What are the key properties of 2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol?
2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol has a molecular weight of 660.90 g/mol, XLogP of 12.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol is sourced from PubChem (CID 142823589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).