(E)-3-phenylselanylprop-2-en-1-ol

C9H10OSe — CID 12609551

IUPAC(E)-3-phenylselanylprop-2-en-1-ol
SMILESOC/C=C/[Se]c1ccccc1
InChIInChI=1S/C9H10OSe/c10-7-4-8-11-9-5-2-1-3-6-9/h1-6,8,10H,7H2/b8-4+
InChIKeySKTCBYYJCSUHOJ-XBXARRHUSA-N
MW213.14 g/mol
LogP0.52
Rot. Bonds3

About (E)-3-phenylselanylprop-2-en-1-ol

(E)-3-phenylselanylprop-2-en-1-ol (PubChem CID 12609551) has the molecular formula C9H10OSe and a molecular weight of 213.14 g/mol. Its IUPAC name is (E)-3-phenylselanylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-phenylselanylprop-2-en-1-ol
PubChem CID12609551
Molecular FormulaC9H10OSe
Molecular Weight213.14 g/mol
Exact Mass213.99
IUPAC Name(E)-3-phenylselanylprop-2-en-1-ol
SMILESOC/C=C/[Se]c1ccccc1
InChIInChI=1S/C9H10OSe/c10-7-4-8-11-9-5-2-1-3-6-9/h1-6,8,10H,7H2/b8-4+
InChIKeySKTCBYYJCSUHOJ-XBXARRHUSA-N
XLogP0.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenylselanylprop-2-en-1-amine
CID 71375037
[(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene
CID 71527754
1-phenylselanyloct-1-en-4-one
CID 71338882
2-phenylselanylethene-1,1-diol
CID 11790922
3-phenylselanylprop-2-enamide
CID 73180686
(E)-3-methyl-1-phenylselanylpent-1-en-3-ol
CID 23269461
[(Z)-2-ethylsulfanylethenyl]selanylbenzene
CID 10776609
[(E)-2-phenylselanylethenyl]sulfanylbenzene
CID 13334237
hydrogen peroxide;(phenyldiselanyl)benzene
CID 161157023
(Z)-3-phenylsulfanylprop-2-en-1-ol
CID 12685459
(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol
CID 100930005
4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol
CID 71443728

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylselanylprop-2-en-1-ol?
The IUPAC name of (E)-3-phenylselanylprop-2-en-1-ol (CID 12609551) is (E)-3-phenylselanylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-phenylselanylprop-2-en-1-ol?
The canonical SMILES for (E)-3-phenylselanylprop-2-en-1-ol is OC/C=C/[Se]c1ccccc1.
What is the InChIKey of (E)-3-phenylselanylprop-2-en-1-ol?
The InChIKey is SKTCBYYJCSUHOJ-XBXARRHUSA-N. The full InChI is InChI=1S/C9H10OSe/c10-7-4-8-11-9-5-2-1-3-6-9/h1-6,8,10H,7H2/b8-4+.
What are the key properties of (E)-3-phenylselanylprop-2-en-1-ol?
(E)-3-phenylselanylprop-2-en-1-ol has a molecular weight of 213.14 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylselanylprop-2-en-1-ol is sourced from PubChem (CID 12609551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).