2-phenyl-3,4-dihydro-2H-selenopyran-4-ol

C11H12OSe — CID 102204602

IUPAC2-phenyl-3,4-dihydro-2H-selenopyran-4-ol
SMILESOC1C=C[Se]C(c2ccccc2)C1
InChIInChI=1S/C11H12OSe/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-7,10-12H,8H2
InChIKeyMHNIVOBQZIQBMP-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.71
Rot. Bonds1

About 2-phenyl-3,4-dihydro-2H-selenopyran-4-ol

2-phenyl-3,4-dihydro-2H-selenopyran-4-ol (PubChem CID 102204602) has the molecular formula C11H12OSe and a molecular weight of 239.18 g/mol. Its IUPAC name is 2-phenyl-3,4-dihydro-2H-selenopyran-4-ol.

Molecular Properties

Compound Name2-phenyl-3,4-dihydro-2H-selenopyran-4-ol
PubChem CID102204602
Molecular FormulaC11H12OSe
Molecular Weight239.18 g/mol
Exact Mass240.01
IUPAC Name2-phenyl-3,4-dihydro-2H-selenopyran-4-ol
SMILESOC1C=C[Se]C(c2ccccc2)C1
InChIInChI=1S/C11H12OSe/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-7,10-12H,8H2
InChIKeyMHNIVOBQZIQBMP-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.71
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

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CID 101173340
(1S,6S)-6-phenylcyclohept-2-en-1-ol
CID 101173341
(3R,6R)-6-phenyl-3,6-dihydro-2H-pyran-3-ol
CID 129411804
(4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol
CID 12618573
(8aS)-2-phenyl-4a,7,8,8a-tetrahydro-4H-1,3-benzodioxin-7-ol
CID 58388646
5-phenylcyclohexane-1,3-diol
CID 14135723
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
[4-(hydroxymethyl)phenyl]-phenyliodanium
CID 140809539
benzoic acid;(1S,5S)-5-phenylcyclohex-2-en-1-ol
CID 71408217
(1R,4S)-3,4-diphenylcyclopent-2-en-1-ol
CID 92533373
(2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol
CID 23245881
diphenyliodanium;hydroiodide
CID 54604341

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,4-dihydro-2H-selenopyran-4-ol?
The IUPAC name of 2-phenyl-3,4-dihydro-2H-selenopyran-4-ol (CID 102204602) is 2-phenyl-3,4-dihydro-2H-selenopyran-4-ol.
What is the SMILES notation for 2-phenyl-3,4-dihydro-2H-selenopyran-4-ol?
The canonical SMILES for 2-phenyl-3,4-dihydro-2H-selenopyran-4-ol is OC1C=C[Se]C(c2ccccc2)C1.
What is the InChIKey of 2-phenyl-3,4-dihydro-2H-selenopyran-4-ol?
The InChIKey is MHNIVOBQZIQBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OSe/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-7,10-12H,8H2.
What are the key properties of 2-phenyl-3,4-dihydro-2H-selenopyran-4-ol?
2-phenyl-3,4-dihydro-2H-selenopyran-4-ol has a molecular weight of 239.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-dihydro-2H-selenopyran-4-ol is sourced from PubChem (CID 102204602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).