2-(3-methylselanylpropyliminomethyl)phenol

C11H15NOSe — CID 136817271

IUPAC2-(3-methylselanylpropyliminomethyl)phenol
SMILESC[Se]CCC/N=C/c1ccccc1O
InChIInChI=1S/C11H15NOSe/c1-14-8-4-7-12-9-10-5-2-3-6-11(10)13/h2-3,5-6,9,13H,4,7-8H2,1H3/b12-9+
InChIKeyWLZVFTCCGSDZKS-FMIVXFBMSA-N
MW256.21 g/mol
LogP2.37
Rot. Bonds5

About 2-(3-methylselanylpropyliminomethyl)phenol

2-(3-methylselanylpropyliminomethyl)phenol (PubChem CID 136817271) has the molecular formula C11H15NOSe and a molecular weight of 256.21 g/mol. Its IUPAC name is 2-(3-methylselanylpropyliminomethyl)phenol.

Molecular Properties

Compound Name2-(3-methylselanylpropyliminomethyl)phenol
PubChem CID136817271
Molecular FormulaC11H15NOSe
Molecular Weight256.21 g/mol
Exact Mass257.03
IUPAC Name2-(3-methylselanylpropyliminomethyl)phenol
SMILESC[Se]CCC/N=C/c1ccccc1O
InChIInChI=1S/C11H15NOSe/c1-14-8-4-7-12-9-10-5-2-3-6-11(10)13/h2-3,5-6,9,13H,4,7-8H2,1H3/b12-9+
InChIKeyWLZVFTCCGSDZKS-FMIVXFBMSA-N
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol
CID 5260284
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678
2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate
CID 135501072
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylselanylpropyliminomethyl)phenol?
The IUPAC name of 2-(3-methylselanylpropyliminomethyl)phenol (CID 136817271) is 2-(3-methylselanylpropyliminomethyl)phenol.
What is the SMILES notation for 2-(3-methylselanylpropyliminomethyl)phenol?
The canonical SMILES for 2-(3-methylselanylpropyliminomethyl)phenol is C[Se]CCC/N=C/c1ccccc1O.
What is the InChIKey of 2-(3-methylselanylpropyliminomethyl)phenol?
The InChIKey is WLZVFTCCGSDZKS-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NOSe/c1-14-8-4-7-12-9-10-5-2-3-6-11(10)13/h2-3,5-6,9,13H,4,7-8H2,1H3/b12-9+.
What are the key properties of 2-(3-methylselanylpropyliminomethyl)phenol?
2-(3-methylselanylpropyliminomethyl)phenol has a molecular weight of 256.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylselanylpropyliminomethyl)phenol is sourced from PubChem (CID 136817271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).