1-nitro-4-(2-trityloxyethyl)benzene

C27H23NO3 — CID 17201978

IUPAC1-nitro-4-(2-trityloxyethyl)benzene
SMILESO=[N+]([O-])c1ccc(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23NO3/c29-28(30)26-18-16-22(17-19-26)20-21-31-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20-21H2
InChIKeyXFRGXBVRJPMYIH-UHFFFAOYSA-N
MW409.49 g/mol
LogP6.15
Rot. Bonds8

About 1-nitro-4-(2-trityloxyethyl)benzene

1-nitro-4-(2-trityloxyethyl)benzene (PubChem CID 17201978) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-nitro-4-(2-trityloxyethyl)benzene.

Molecular Properties

Compound Name1-nitro-4-(2-trityloxyethyl)benzene
PubChem CID17201978
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name1-nitro-4-(2-trityloxyethyl)benzene
SMILESO=[N+]([O-])c1ccc(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23NO3/c29-28(30)26-18-16-22(17-19-26)20-21-31-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20-21H2
InChIKeyXFRGXBVRJPMYIH-UHFFFAOYSA-N
XLogP6.15
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-nitrophenyl)ethoxy]pyridine
CID 70249907
dibenzyl 2-(4-nitrophenyl)ethyl phosphate
CID 141046350
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
2-O-[2-(benzenesulfonyl)ethyl] 1-O-[2-(4-nitrophenyl)ethyl] oxalate
CID 67910678
(E)-3-[2-(4-nitrophenyl)ethoxy]-2-phenylbut-2-enenitrile
CID 7158723
1-(3-chloro-3-phenylpropyl)-4-nitrobenzene
CID 12506435
1-nitro-4-(1,1,2,2-tetrabromo-2-phenylethyl)benzene
CID 4025193
[(2R)-2-hydroxy-3-trityloxypropyl] 4-nitrobenzoate
CID 90475561
2-(4-nitrophenyl)ethyl methanesulfonate
CID 12942079
bis[2-(4-nitrophenyl)ethyl] hydrogen phosphate
CID 11294928
[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 43520060
(1R,2R)-2-N',2-N'-dimethyl-1-(4-nitrophenyl)-3-trityloxypropane-1,2,2-triamine
CID 164900865

Frequently Asked Questions

What is the IUPAC name of 1-nitro-4-(2-trityloxyethyl)benzene?
The IUPAC name of 1-nitro-4-(2-trityloxyethyl)benzene (CID 17201978) is 1-nitro-4-(2-trityloxyethyl)benzene.
What is the SMILES notation for 1-nitro-4-(2-trityloxyethyl)benzene?
The canonical SMILES for 1-nitro-4-(2-trityloxyethyl)benzene is O=[N+]([O-])c1ccc(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-nitro-4-(2-trityloxyethyl)benzene?
The InChIKey is XFRGXBVRJPMYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c29-28(30)26-18-16-22(17-19-26)20-21-31-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20-21H2.
What are the key properties of 1-nitro-4-(2-trityloxyethyl)benzene?
1-nitro-4-(2-trityloxyethyl)benzene has a molecular weight of 409.49 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-(2-trityloxyethyl)benzene is sourced from PubChem (CID 17201978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).