4-aminoselanylphenol

C6H7NOSe — CID 174642710

IUPAC4-aminoselanylphenol
SMILESN[Se]c1ccc(O)cc1
InChIInChI=1S/C6H7NOSe/c7-9-6-3-1-5(8)2-4-6/h1-4,8H,7H2
InChIKeyQAILIZWBUPLDCP-UHFFFAOYSA-N
MW188.09 g/mol
LogP-0.40
Rot. Bonds1

About 4-aminoselanylphenol

4-aminoselanylphenol (PubChem CID 174642710) has the molecular formula C6H7NOSe and a molecular weight of 188.09 g/mol. Its IUPAC name is 4-aminoselanylphenol.

Molecular Properties

Compound Name4-aminoselanylphenol
PubChem CID174642710
Molecular FormulaC6H7NOSe
Molecular Weight188.09 g/mol
Exact Mass188.97
IUPAC Name4-aminoselanylphenol
SMILESN[Se]c1ccc(O)cc1
InChIInChI=1S/C6H7NOSe/c7-9-6-3-1-5(8)2-4-6/h1-4,8H,7H2
InChIKeyQAILIZWBUPLDCP-UHFFFAOYSA-N
XLogP-0.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.09
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

argon;benzene-1,4-diol
CID 71441175
CID 158795306
CID 158795306
benzene-1,4-diol;hydron
CID 137356428
disodium;benzene-1,4-diol;hydride
CID 173178650
calcium;benzene-1,4-diol;hydride
CID 173044185
4-(trifluoromethylselanyl)phenol
CID 150528652
4-methoxyselanylphenol
CID 20836022
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
gold(1+);4-sulfanylphenol
CID 19367562
benzene-1,4-diol;carbamic acid
CID 158152403
lithium;4-aminophenol;hydride
CID 173115053
sodium;4-aminophenol;hydride
CID 173115063

Frequently Asked Questions

What is the IUPAC name of 4-aminoselanylphenol?
The IUPAC name of 4-aminoselanylphenol (CID 174642710) is 4-aminoselanylphenol.
What is the SMILES notation for 4-aminoselanylphenol?
The canonical SMILES for 4-aminoselanylphenol is N[Se]c1ccc(O)cc1.
What is the InChIKey of 4-aminoselanylphenol?
The InChIKey is QAILIZWBUPLDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOSe/c7-9-6-3-1-5(8)2-4-6/h1-4,8H,7H2.
What are the key properties of 4-aminoselanylphenol?
4-aminoselanylphenol has a molecular weight of 188.09 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminoselanylphenol is sourced from PubChem (CID 174642710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).