3-phenylselenonylcyclohex-2-en-1-ol

C12H14O3Se — CID 135050081

IUPAC3-phenylselenonylcyclohex-2-en-1-ol
SMILESO=[Se](=O)(C1=CC(O)CCC1)c1ccccc1
InChIInChI=1S/C12H14O3Se/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,9-10,13H,4-5,8H2
InChIKeyDBLNPVHUXXASSD-UHFFFAOYSA-N
MW285.20 g/mol
LogP1.21
Rot. Bonds2

About 3-phenylselenonylcyclohex-2-en-1-ol

3-phenylselenonylcyclohex-2-en-1-ol (PubChem CID 135050081) has the molecular formula C12H14O3Se and a molecular weight of 285.20 g/mol. Its IUPAC name is 3-phenylselenonylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-phenylselenonylcyclohex-2-en-1-ol
PubChem CID135050081
Molecular FormulaC12H14O3Se
Molecular Weight285.20 g/mol
Exact Mass286.01
IUPAC Name3-phenylselenonylcyclohex-2-en-1-ol
SMILESO=[Se](=O)(C1=CC(O)CCC1)c1ccccc1
InChIInChI=1S/C12H14O3Se/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,9-10,13H,4-5,8H2
InChIKeyDBLNPVHUXXASSD-UHFFFAOYSA-N
XLogP1.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenylcyclohept-2-en-1-ol
CID 15145996
(1S)-3-phenylcyclohept-2-en-1-ol
CID 154717661
(1R)-3-phenylcyclohept-2-en-1-ol
CID 154716148
3-bromocyclohex-2-en-1-ol
CID 566108
1-butyl-3-phenylselenonylcyclohex-2-en-1-ol
CID 12757736
[cyclohexanecarbonyloxy(diphenyl)-λ4-selanyl] cyclohexanecarboxylate
CID 10917916
3-(2-methoxyphenyl)cyclohept-2-en-1-ol
CID 107383616
3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol
CID 65172216
(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339
3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol
CID 104662829
3-ethenylcyclohex-2-en-1-ol
CID 10866328
(1R)-3-ethylcyclohex-2-en-1-ol
CID 11252010

Frequently Asked Questions

What is the IUPAC name of 3-phenylselenonylcyclohex-2-en-1-ol?
The IUPAC name of 3-phenylselenonylcyclohex-2-en-1-ol (CID 135050081) is 3-phenylselenonylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-phenylselenonylcyclohex-2-en-1-ol?
The canonical SMILES for 3-phenylselenonylcyclohex-2-en-1-ol is O=[Se](=O)(C1=CC(O)CCC1)c1ccccc1.
What is the InChIKey of 3-phenylselenonylcyclohex-2-en-1-ol?
The InChIKey is DBLNPVHUXXASSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3Se/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,9-10,13H,4-5,8H2.
What are the key properties of 3-phenylselenonylcyclohex-2-en-1-ol?
3-phenylselenonylcyclohex-2-en-1-ol has a molecular weight of 285.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylselenonylcyclohex-2-en-1-ol is sourced from PubChem (CID 135050081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).