4-methoxyselanylphenol

C7H8O2Se — CID 20836022

IUPAC4-methoxyselanylphenol
SMILESCO[Se]c1ccc(O)cc1
InChIInChI=1S/C7H8O2Se/c1-9-10-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKeyMPWYYKDZXSGDIL-UHFFFAOYSA-N
MW203.10 g/mol
LogP0.28
Rot. Bonds2

About 4-methoxyselanylphenol

4-methoxyselanylphenol (PubChem CID 20836022) has the molecular formula C7H8O2Se and a molecular weight of 203.10 g/mol. Its IUPAC name is 4-methoxyselanylphenol.

Molecular Properties

Compound Name4-methoxyselanylphenol
PubChem CID20836022
Molecular FormulaC7H8O2Se
Molecular Weight203.10 g/mol
Exact Mass203.97
IUPAC Name4-methoxyselanylphenol
SMILESCO[Se]c1ccc(O)cc1
InChIInChI=1S/C7H8O2Se/c1-9-10-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKeyMPWYYKDZXSGDIL-UHFFFAOYSA-N
XLogP0.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.10
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-aminoselanylphenol
CID 174642710
4-chlorophenol;methoxymethane
CID 23617160
methane;4-methoxyphenol
CID 159494332
argon;benzene-1,4-diol
CID 71441175
CID 158795306
CID 158795306
benzene-1,4-diol;hydron
CID 137356428
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
methoxymethane;phenol
CID 18763564
calcium;benzene-1,4-diol;hydride
CID 173044185
disodium;benzene-1,4-diol;hydride
CID 173178650
4-(dimethylaminooxy)phenol
CID 163417852
4-(trifluoromethylselanyl)phenol
CID 150528652

Frequently Asked Questions

What is the IUPAC name of 4-methoxyselanylphenol?
The IUPAC name of 4-methoxyselanylphenol (CID 20836022) is 4-methoxyselanylphenol.
What is the SMILES notation for 4-methoxyselanylphenol?
The canonical SMILES for 4-methoxyselanylphenol is CO[Se]c1ccc(O)cc1.
What is the InChIKey of 4-methoxyselanylphenol?
The InChIKey is MPWYYKDZXSGDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2Se/c1-9-10-7-4-2-6(8)3-5-7/h2-5,8H,1H3.
What are the key properties of 4-methoxyselanylphenol?
4-methoxyselanylphenol has a molecular weight of 203.10 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyselanylphenol is sourced from PubChem (CID 20836022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).