(Z)-4-phenylselanylbut-3-en-2-ol

C10H12OSe — CID 13444933

IUPAC(Z)-4-phenylselanylbut-3-en-2-ol
SMILESCC(O)/C=C\[Se]c1ccccc1
InChIInChI=1S/C10H12OSe/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7-
InChIKeyBMCOYGJCDOVSLU-FPLPWBNLSA-N
MW227.16 g/mol
LogP0.91
Rot. Bonds3

About (Z)-4-phenylselanylbut-3-en-2-ol

(Z)-4-phenylselanylbut-3-en-2-ol (PubChem CID 13444933) has the molecular formula C10H12OSe and a molecular weight of 227.16 g/mol. Its IUPAC name is (Z)-4-phenylselanylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-phenylselanylbut-3-en-2-ol
PubChem CID13444933
Molecular FormulaC10H12OSe
Molecular Weight227.16 g/mol
Exact Mass228.01
IUPAC Name(Z)-4-phenylselanylbut-3-en-2-ol
SMILESCC(O)/C=C\[Se]c1ccccc1
InChIInChI=1S/C10H12OSe/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7-
InChIKeyBMCOYGJCDOVSLU-FPLPWBNLSA-N
XLogP0.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-phenylselanylbut-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Phenylbut-3-en-2-ol
CID 15172
4-Phenyl-3-buten-2-ol, (3E)-
CID 5369489
(3Z)-4-Phenyl-3-buten-2-ol
CID 11469151
1-Phenylselanylpropan-2-ol
CID 11183499
(2R,3E)-4-phenylbut-3-en-2-ol
CID 10986397
(2S)-4-phenylbut-3-en-2-ol
CID 54548709
Hydroxypropyl phenyl selenide
CID 10656305
(S)-4-Phenylbut-3-en-2-ol
CID 10975641
2-(Phenylselanyl)cyclohexan-1-ol
CID 12531121
2-Methyl-1-phenylselanylpropan-2-ol
CID 13510434
3-Buten-2-ol, 4-phenyl-, (2R)-
CID 68562377
Npc112006
CID 21965192

Frequently Asked Questions

What is the IUPAC name of (Z)-4-phenylselanylbut-3-en-2-ol?
The IUPAC name of (Z)-4-phenylselanylbut-3-en-2-ol (CID 13444933) is (Z)-4-phenylselanylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-phenylselanylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-phenylselanylbut-3-en-2-ol is CC(O)/C=C\[Se]c1ccccc1.
What is the InChIKey of (Z)-4-phenylselanylbut-3-en-2-ol?
The InChIKey is BMCOYGJCDOVSLU-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H12OSe/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7-.
What are the key properties of (Z)-4-phenylselanylbut-3-en-2-ol?
(Z)-4-phenylselanylbut-3-en-2-ol has a molecular weight of 227.16 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-phenylselanylbut-3-en-2-ol is sourced from PubChem (CID 13444933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).