(4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol

C35H36N2O2 — CID 58951941

IUPAC(4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol
SMILESCCOc1cc(CC)c(C(O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c(CC)c1
InChIInChI=1S/C35H36N2O2/c1-4-26-22-31(39-6-3)23-27(5-2)33(26)34(38)32-24-37(25-36-32)35(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-25,34,38H,4-6H2,1-3H3
InChIKeyYTWMLKSAXVEKSV-UHFFFAOYSA-N
MW516.69 g/mol
LogP7.33
Rot. Bonds10

About (4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol

(4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol (PubChem CID 58951941) has the molecular formula C35H36N2O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is (4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol
PubChem CID58951941
Molecular FormulaC35H36N2O2
Molecular Weight516.69 g/mol
Exact Mass516.28
IUPAC Name(4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol
SMILESCCOc1cc(CC)c(C(O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c(CC)c1
InChIInChI=1S/C35H36N2O2/c1-4-26-22-31(39-6-3)23-27(5-2)33(26)34(38)32-24-37(25-36-32)35(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-25,34,38H,4-6H2,1-3H3
InChIKeyYTWMLKSAXVEKSV-UHFFFAOYSA-N
XLogP7.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol
CID 70314430
(6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
CID 11092260
(3,4-dimethylphenyl)-(1-tritylimidazol-4-yl)methanol
CID 146311360
(6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
CID 22018393
(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone
CID 22664967
[butyl(ethoxy)phosphoryl]-(1-tritylimidazol-4-yl)methanol
CID 101389166
ethyl 2-hydroxy-3-[6-(methylcarbamoyl)naphthalen-2-yl]-3-(1-tritylimidazol-4-yl)propanoate
CID 141215606
1-(1-tritylimidazol-4-yl)propan-2-ol
CID 139755618
N-ethoxy-6-[3-hydroxy-2-methyl-1-(1-tritylimidazol-4-yl)propyl]naphthalene-2-carboxamide
CID 87632573
2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide
CID 142032314
tert-butyl 4-[2-hydroxy-1-(1-tritylimidazol-4-yl)ethyl]piperidine-1-carboxylate
CID 46929445
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoic acid
CID 10951350

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol?
The IUPAC name of (4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol (CID 58951941) is (4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol.
What is the SMILES notation for (4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol?
The canonical SMILES for (4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol is CCOc1cc(CC)c(C(O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c(CC)c1.
What is the InChIKey of (4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol?
The InChIKey is YTWMLKSAXVEKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O2/c1-4-26-22-31(39-6-3)23-27(5-2)33(26)34(38)32-24-37(25-36-32)35(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-25,34,38H,4-6H2,1-3H3.
What are the key properties of (4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol?
(4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol has a molecular weight of 516.69 g/mol, XLogP of 7.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol is sourced from PubChem (CID 58951941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).