4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol

C18H17NO4Se — CID 141346853

IUPAC4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol
SMILESCOc1cc(-c2[se]cnc2-c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C18H17NO4Se/c1-21-14-8-12(9-15(22-2)17(14)23-3)18-16(19-10-24-18)11-4-6-13(20)7-5-11/h4-10,20H,1-3H3
InChIKeyIIKVZAFNPKNUQA-UHFFFAOYSA-N
MW390.30 g/mol
LogP3.20
Rot. Bonds5

About 4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol

4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol (PubChem CID 141346853) has the molecular formula C18H17NO4Se and a molecular weight of 390.30 g/mol. Its IUPAC name is 4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol
PubChem CID141346853
Molecular FormulaC18H17NO4Se
Molecular Weight390.30 g/mol
Exact Mass391.03
IUPAC Name4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol
SMILESCOc1cc(-c2[se]cnc2-c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C18H17NO4Se/c1-21-14-8-12(9-15(22-2)17(14)23-3)18-16(19-10-24-18)11-4-6-13(20)7-5-11/h4-10,20H,1-3H3
InChIKeyIIKVZAFNPKNUQA-UHFFFAOYSA-N
XLogP3.20
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[5-oxido-4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-5-ium-3-yl]phenol
CID 141465475
4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol
CID 135815278
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 4262449
5-(hydroperoxymethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 62707467
3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
CID 18874648
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
CID 67422117
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol
CID 44814730
[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
CID 22557920
sodium 4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenolate
CID 66678861
3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
CID 126672824

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol?
The IUPAC name of 4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol (CID 141346853) is 4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol.
What is the SMILES notation for 4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol?
The canonical SMILES for 4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol is COc1cc(-c2[se]cnc2-c2ccc(O)cc2)cc(OC)c1OC.
What is the InChIKey of 4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol?
The InChIKey is IIKVZAFNPKNUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4Se/c1-21-14-8-12(9-15(22-2)17(14)23-3)18-16(19-10-24-18)11-4-6-13(20)7-5-11/h4-10,20H,1-3H3.
What are the key properties of 4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol?
4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol has a molecular weight of 390.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4,5-trimethoxyphenyl)-1,3-selenazol-4-yl]phenol is sourced from PubChem (CID 141346853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).