1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene

C26H22OS — CID 21049784

IUPAC1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene
SMILESCOC(c1ccccc1)(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C26H22OS/c1-27-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-17-19-25(20-18-23)28-24-15-9-4-10-16-24/h2-20H,1H3
InChIKeyYXYCQVFALGJWDQ-UHFFFAOYSA-N
MW382.53 g/mol
LogP6.78
Rot. Bonds6

About 1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene

1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene (PubChem CID 21049784) has the molecular formula C26H22OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene.

Molecular Properties

Compound Name1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene
PubChem CID21049784
Molecular FormulaC26H22OS
Molecular Weight382.53 g/mol
Exact Mass382.14
IUPAC Name1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene
SMILESCOC(c1ccccc1)(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C26H22OS/c1-27-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-17-19-25(20-18-23)28-24-15-9-4-10-16-24/h2-20H,1H3
InChIKeyYXYCQVFALGJWDQ-UHFFFAOYSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene?
The IUPAC name of 1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene (CID 21049784) is 1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene.
What is the SMILES notation for 1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene?
The canonical SMILES for 1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene is COC(c1ccccc1)(c1ccccc1)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene?
The InChIKey is YXYCQVFALGJWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22OS/c1-27-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-17-19-25(20-18-23)28-24-15-9-4-10-16-24/h2-20H,1H3.
What are the key properties of 1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene?
1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene has a molecular weight of 382.53 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene is sourced from PubChem (CID 21049784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).