1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene

C32H32OS — CID 166538038

IUPAC1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene
SMILESc1ccc(C(Sc2cccc(OCC3CCCCC3)c2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H32OS/c1-5-14-26(15-6-1)25-33-30-22-13-23-31(24-30)34-32(27-16-7-2-8-17-27,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h2-4,7-13,16-24,26H,1,5-6,14-15,25H2
InChIKeyPENPGSHXVQOLAZ-UHFFFAOYSA-N
MW464.67 g/mol
LogP8.73
Rot. Bonds8

About 1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene

1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene (PubChem CID 166538038) has the molecular formula C32H32OS and a molecular weight of 464.67 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene
PubChem CID166538038
Molecular FormulaC32H32OS
Molecular Weight464.67 g/mol
Exact Mass464.22
IUPAC Name1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene
SMILESc1ccc(C(Sc2cccc(OCC3CCCCC3)c2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H32OS/c1-5-14-26(15-6-1)25-33-30-22-13-23-31(24-30)34-32(27-16-7-2-8-17-27,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h2-4,7-13,16-24,26H,1,5-6,14-15,25H2
InChIKeyPENPGSHXVQOLAZ-UHFFFAOYSA-N
XLogP8.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.67
LogP ≤ 58.73
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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Related Compounds

cyclohexylmethoxybenzene
CID 14399287
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 141350221
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
[3-(cyclohexylmethoxy)phenyl]-trifluoroboranuide
CID 55232578
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
3-(cycloheptylmethoxy)benzaldehyde
CID 86637613
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
cyclopropylmethoxybenzene
CID 12712156
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene
CID 166449839

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene?
The IUPAC name of 1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene (CID 166538038) is 1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene.
What is the SMILES notation for 1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene?
The canonical SMILES for 1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene is c1ccc(C(Sc2cccc(OCC3CCCCC3)c2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene?
The InChIKey is PENPGSHXVQOLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32OS/c1-5-14-26(15-6-1)25-33-30-22-13-23-31(24-30)34-32(27-16-7-2-8-17-27,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h2-4,7-13,16-24,26H,1,5-6,14-15,25H2.
What are the key properties of 1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene?
1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene has a molecular weight of 464.67 g/mol, XLogP of 8.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-3-tritylsulfanylbenzene is sourced from PubChem (CID 166538038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).