2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate

C13H15NO2Se — CID 102311689

IUPAC2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate
SMILESC=C(COCc1ccc(OC)cc1)C[Se]C#N
InChIInChI=1S/C13H15NO2Se/c1-11(9-17-10-14)7-16-8-12-3-5-13(15-2)6-4-12/h3-6H,1,7-9H2,2H3
InChIKeyLUXYAOGQQQMRMA-UHFFFAOYSA-N
MW296.23 g/mol
LogP2.37
Rot. Bonds7

About 2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate

2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate (PubChem CID 102311689) has the molecular formula C13H15NO2Se and a molecular weight of 296.23 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate
PubChem CID102311689
Molecular FormulaC13H15NO2Se
Molecular Weight296.23 g/mol
Exact Mass297.03
IUPAC Name2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate
SMILESC=C(COCc1ccc(OC)cc1)C[Se]C#N
InChIInChI=1S/C13H15NO2Se/c1-11(9-17-10-14)7-16-8-12-3-5-13(15-2)6-4-12/h3-6H,1,7-9H2,2H3
InChIKeyLUXYAOGQQQMRMA-UHFFFAOYSA-N
XLogP2.37
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[[4-(methoxymethoxy)-2-methylidenebutoxy]methyl]benzene
CID 89374249
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623
1-[(5,5-dimethyl-2-methylidenehex-3-ynoxy)methyl]-4-methoxybenzene
CID 71740520
1-[2-(benzenesulfonylmethyl)prop-2-enoxymethyl]-4-methoxybenzene
CID 10592693
(5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol
CID 71662031
(E)-4-[(4-methoxyphenyl)methoxy]-3-methylbut-2-enal
CID 101450016
(4-methoxyphenyl)methyl hypobromite
CID 166766888
cyanic acid;4-methoxyphenol
CID 172812844
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
(3S)-1-[(4-methoxyphenyl)methoxy]hexa-4,5-dien-3-ol
CID 11770384
1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene
CID 101098323
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
CID 78130053

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate?
The IUPAC name of 2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate (CID 102311689) is 2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate is C=C(COCc1ccc(OC)cc1)C[Se]C#N.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate?
The InChIKey is LUXYAOGQQQMRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2Se/c1-11(9-17-10-14)7-16-8-12-3-5-13(15-2)6-4-12/h3-6H,1,7-9H2,2H3.
What are the key properties of 2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate?
2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate has a molecular weight of 296.23 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxymethyl]prop-2-enyl selenocyanate is sourced from PubChem (CID 102311689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).