3,5-dimethyl-4-phenylselanylphenol

C14H14OSe — CID 10912804

IUPAC3,5-dimethyl-4-phenylselanylphenol
SMILESCc1cc(O)cc(C)c1[Se]c1ccccc1
InChIInChI=1S/C14H14OSe/c1-10-8-12(15)9-11(2)14(10)16-13-6-4-3-5-7-13/h3-9,15H,1-2H3
InChIKeyUEMBYQZSUYHPKZ-UHFFFAOYSA-N
MW277.22 g/mol
LogP1.66
Rot. Bonds2

About 3,5-dimethyl-4-phenylselanylphenol

3,5-dimethyl-4-phenylselanylphenol (PubChem CID 10912804) has the molecular formula C14H14OSe and a molecular weight of 277.22 g/mol. Its IUPAC name is 3,5-dimethyl-4-phenylselanylphenol.

Molecular Properties

Compound Name3,5-dimethyl-4-phenylselanylphenol
PubChem CID10912804
Molecular FormulaC14H14OSe
Molecular Weight277.22 g/mol
Exact Mass278.02
IUPAC Name3,5-dimethyl-4-phenylselanylphenol
SMILESCc1cc(O)cc(C)c1[Se]c1ccccc1
InChIInChI=1S/C14H14OSe/c1-10-8-12(15)9-11(2)14(10)16-13-6-4-3-5-7-13/h3-9,15H,1-2H3
InChIKeyUEMBYQZSUYHPKZ-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-phenylselanylphenol?
The IUPAC name of 3,5-dimethyl-4-phenylselanylphenol (CID 10912804) is 3,5-dimethyl-4-phenylselanylphenol.
What is the SMILES notation for 3,5-dimethyl-4-phenylselanylphenol?
The canonical SMILES for 3,5-dimethyl-4-phenylselanylphenol is Cc1cc(O)cc(C)c1[Se]c1ccccc1.
What is the InChIKey of 3,5-dimethyl-4-phenylselanylphenol?
The InChIKey is UEMBYQZSUYHPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OSe/c1-10-8-12(15)9-11(2)14(10)16-13-6-4-3-5-7-13/h3-9,15H,1-2H3.
What are the key properties of 3,5-dimethyl-4-phenylselanylphenol?
3,5-dimethyl-4-phenylselanylphenol has a molecular weight of 277.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-phenylselanylphenol is sourced from PubChem (CID 10912804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).