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

C9H10OSe — CID 12609552

IUPAC(Z)-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-YWEYNIOJSA-N
MW213.14 g/mol
LogP0.52
Rot. Bonds3

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

(Z)-3-phenylselanylprop-2-en-1-ol (PubChem CID 12609552) has the molecular formula C9H10OSe and a molecular weight of 213.14 g/mol. Its IUPAC name is (Z)-3-phenylselanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-phenylselanylprop-2-en-1-ol
PubChem CID12609552
Molecular FormulaC9H10OSe
Molecular Weight213.14 g/mol
Exact Mass213.99
IUPAC Name(Z)-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-YWEYNIOJSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenylselanylprop-2-en-1-ol?
The IUPAC name of (Z)-3-phenylselanylprop-2-en-1-ol (CID 12609552) is (Z)-3-phenylselanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-phenylselanylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-phenylselanylprop-2-en-1-ol is OC/C=C\[Se]c1ccccc1.
What is the InChIKey of (Z)-3-phenylselanylprop-2-en-1-ol?
The InChIKey is SKTCBYYJCSUHOJ-YWEYNIOJSA-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 (Z)-3-phenylselanylprop-2-en-1-ol?
(Z)-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 (Z)-3-phenylselanylprop-2-en-1-ol is sourced from PubChem (CID 12609552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).