(1-phenylselanylcyclohexyl)methanol

C13H18OSe — CID 13486596

IUPAC(1-phenylselanylcyclohexyl)methanol
SMILESOCC1([Se]c2ccccc2)CCCCC1
InChIInChI=1S/C13H18OSe/c14-11-13(9-5-2-6-10-13)15-12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2
InChIKeyQABZQOFJPLDNRB-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.13
Rot. Bonds3

About (1-phenylselanylcyclohexyl)methanol

(1-phenylselanylcyclohexyl)methanol (PubChem CID 13486596) has the molecular formula C13H18OSe and a molecular weight of 269.25 g/mol. Its IUPAC name is (1-phenylselanylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-phenylselanylcyclohexyl)methanol
PubChem CID13486596
Molecular FormulaC13H18OSe
Molecular Weight269.25 g/mol
Exact Mass270.05
IUPAC Name(1-phenylselanylcyclohexyl)methanol
SMILESOCC1([Se]c2ccccc2)CCCCC1
InChIInChI=1S/C13H18OSe/c14-11-13(9-5-2-6-10-13)15-12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2
InChIKeyQABZQOFJPLDNRB-UHFFFAOYSA-N
XLogP2.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.13
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 (1-phenylselanylcyclohexyl)methanol?
The IUPAC name of (1-phenylselanylcyclohexyl)methanol (CID 13486596) is (1-phenylselanylcyclohexyl)methanol.
What is the SMILES notation for (1-phenylselanylcyclohexyl)methanol?
The canonical SMILES for (1-phenylselanylcyclohexyl)methanol is OCC1([Se]c2ccccc2)CCCCC1.
What is the InChIKey of (1-phenylselanylcyclohexyl)methanol?
The InChIKey is QABZQOFJPLDNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OSe/c14-11-13(9-5-2-6-10-13)15-12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2.
What are the key properties of (1-phenylselanylcyclohexyl)methanol?
(1-phenylselanylcyclohexyl)methanol has a molecular weight of 269.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylselanylcyclohexyl)methanol is sourced from PubChem (CID 13486596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).