1-ethenyl-3-trityloxybenzene

C27H22O — CID 146334415

IUPAC1-ethenyl-3-trityloxybenzene
SMILESC=Cc1cccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H22O/c1-2-22-13-12-20-26(21-22)28-27(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h2-21H,1H2
InChIKeyWGYJKJXTZZBOQJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.70
Rot. Bonds6

About 1-ethenyl-3-trityloxybenzene

1-ethenyl-3-trityloxybenzene (PubChem CID 146334415) has the molecular formula C27H22O and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-ethenyl-3-trityloxybenzene.

Molecular Properties

Compound Name1-ethenyl-3-trityloxybenzene
PubChem CID146334415
Molecular FormulaC27H22O
Molecular Weight362.47 g/mol
Exact Mass362.17
IUPAC Name1-ethenyl-3-trityloxybenzene
SMILESC=Cc1cccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H22O/c1-2-22-13-12-20-26(21-22)28-27(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h2-21H,1H2
InChIKeyWGYJKJXTZZBOQJ-UHFFFAOYSA-N
XLogP6.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethenyl-3-trityloxybenzene?
The IUPAC name of 1-ethenyl-3-trityloxybenzene (CID 146334415) is 1-ethenyl-3-trityloxybenzene.
What is the SMILES notation for 1-ethenyl-3-trityloxybenzene?
The canonical SMILES for 1-ethenyl-3-trityloxybenzene is C=Cc1cccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-ethenyl-3-trityloxybenzene?
The InChIKey is WGYJKJXTZZBOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O/c1-2-22-13-12-20-26(21-22)28-27(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h2-21H,1H2.
What are the key properties of 1-ethenyl-3-trityloxybenzene?
1-ethenyl-3-trityloxybenzene has a molecular weight of 362.47 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-trityloxybenzene is sourced from PubChem (CID 146334415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).