ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate

C34H30N2O3 — CID 75210654

IUPACethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate
SMILESCCOC(=O)c1c(C=Cc2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cccc1OC
InChIInChI=1S/C34H30N2O3/c1-3-39-33(37)32-26(14-13-21-30(32)38-2)22-23-31-35-24-25-36(31)34(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-25H,3H2,1-2H3
InChIKeyCRTUEHUFNDBEER-UHFFFAOYSA-N
MW514.63 g/mol
LogP7.08
Rot. Bonds9

About ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate

ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate (PubChem CID 75210654) has the molecular formula C34H30N2O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate
PubChem CID75210654
Molecular FormulaC34H30N2O3
Molecular Weight514.63 g/mol
Exact Mass514.23
IUPAC Nameethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate
SMILESCCOC(=O)c1c(C=Cc2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cccc1OC
InChIInChI=1S/C34H30N2O3/c1-3-39-33(37)32-26(14-13-21-30(32)38-2)22-23-31-35-24-25-36(31)34(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-25H,3H2,1-2H3
InChIKeyCRTUEHUFNDBEER-UHFFFAOYSA-N
XLogP7.08
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-dodec-1-enyl-6-methoxybenzoate
CID 57400170
1-(2-aminophenyl)-3-(1-tritylimidazol-2-yl)prop-2-en-1-one
CID 54056735
2-(3-ethoxy-3-oxoprop-1-enyl)-6-methoxybenzoic acid
CID 169480788
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271
ethyl 2-acetyloxy-6-[2-(1,3-benzodioxol-5-yl)ethenyl]benzoate
CID 75210614
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate
CID 42740215
ethyl 2-(2-formylimidazol-1-yl)benzoate
CID 83383313
ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate
CID 21190809
ethyl 5-[4-[(1-tritylimidazol-2-yl)amino]butyl]-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 57122318
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate?
The IUPAC name of ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate (CID 75210654) is ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate.
What is the SMILES notation for ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate?
The canonical SMILES for ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate is CCOC(=O)c1c(C=Cc2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cccc1OC.
What is the InChIKey of ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate?
The InChIKey is CRTUEHUFNDBEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O3/c1-3-39-33(37)32-26(14-13-21-30(32)38-2)22-23-31-35-24-25-36(31)34(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-25H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate?
ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate has a molecular weight of 514.63 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate is sourced from PubChem (CID 75210654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).