4-methyl-2-phenylselanylpent-1-en-3-ol

C12H16OSe — CID 134905165

IUPAC4-methyl-2-phenylselanylpent-1-en-3-ol
SMILESC=C([Se]c1ccccc1)C(O)C(C)C
InChIInChI=1S/C12H16OSe/c1-9(2)12(13)10(3)14-11-7-5-4-6-8-11/h4-9,12-13H,3H2,1-2H3
InChIKeyZCEMINBTARYUNV-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.55
Rot. Bonds4

About 4-methyl-2-phenylselanylpent-1-en-3-ol

4-methyl-2-phenylselanylpent-1-en-3-ol (PubChem CID 134905165) has the molecular formula C12H16OSe and a molecular weight of 255.22 g/mol. Its IUPAC name is 4-methyl-2-phenylselanylpent-1-en-3-ol.

Molecular Properties

Compound Name4-methyl-2-phenylselanylpent-1-en-3-ol
PubChem CID134905165
Molecular FormulaC12H16OSe
Molecular Weight255.22 g/mol
Exact Mass256.04
IUPAC Name4-methyl-2-phenylselanylpent-1-en-3-ol
SMILESC=C([Se]c1ccccc1)C(O)C(C)C
InChIInChI=1S/C12H16OSe/c1-9(2)12(13)10(3)14-11-7-5-4-6-8-11/h4-9,12-13H,3H2,1-2H3
InChIKeyZCEMINBTARYUNV-UHFFFAOYSA-N
XLogP1.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.55
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

1-Phenylselanylpropan-2-ol
CID 11183499
(E)-2-methyl-1-phenylpent-1-en-3-ol
CID 13465033
(E)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 60052386
(4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol
CID 16758963
(2S,3S,5E,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol
CID 102318874
(2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol
CID 102318875
1-Penten-3-ol, 1-phenyl-
CID 5371967
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
Hydroxypropyl phenyl selenide
CID 10656305
(E,3R)-1-phenylpent-1-en-3-ol
CID 10931758
(E)-2-Methyl-1-phenyl-1,5-hexadien-3-ol
CID 11159780
(E)-1-phenylhex-1-en-3-ol
CID 12167973

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylselanylpent-1-en-3-ol?
The IUPAC name of 4-methyl-2-phenylselanylpent-1-en-3-ol (CID 134905165) is 4-methyl-2-phenylselanylpent-1-en-3-ol.
What is the SMILES notation for 4-methyl-2-phenylselanylpent-1-en-3-ol?
The canonical SMILES for 4-methyl-2-phenylselanylpent-1-en-3-ol is C=C([Se]c1ccccc1)C(O)C(C)C.
What is the InChIKey of 4-methyl-2-phenylselanylpent-1-en-3-ol?
The InChIKey is ZCEMINBTARYUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSe/c1-9(2)12(13)10(3)14-11-7-5-4-6-8-11/h4-9,12-13H,3H2,1-2H3.
What are the key properties of 4-methyl-2-phenylselanylpent-1-en-3-ol?
4-methyl-2-phenylselanylpent-1-en-3-ol has a molecular weight of 255.22 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylselanylpent-1-en-3-ol is sourced from PubChem (CID 134905165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).