cyclohexen-1-yl(quinoxalin-2-yl)methanol

C15H16N2O — CID 107357780

IUPACcyclohexen-1-yl(quinoxalin-2-yl)methanol
SMILESOC(C1=CCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C15H16N2O/c18-15(11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)17-14/h4-6,8-10,15,18H,1-3,7H2
InChIKeyOMWBTNKGPWOBTA-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.16
Rot. Bonds2

About cyclohexen-1-yl(quinoxalin-2-yl)methanol

cyclohexen-1-yl(quinoxalin-2-yl)methanol (PubChem CID 107357780) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is cyclohexen-1-yl(quinoxalin-2-yl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl(quinoxalin-2-yl)methanol
PubChem CID107357780
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Namecyclohexen-1-yl(quinoxalin-2-yl)methanol
SMILESOC(C1=CCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C15H16N2O/c18-15(11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)17-14/h4-6,8-10,15,18H,1-3,7H2
InChIKeyOMWBTNKGPWOBTA-UHFFFAOYSA-N
XLogP3.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydrofuran-5-yl(quinoxalin-2-yl)methanol
CID 107357766
(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
CID 106657827
cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol
CID 106657819
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclohexen-1-yl(imidazo[1,2-a]pyridin-2-yl)methanol
CID 106651230
(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
CID 106694120
cyclohepten-1-yl(quinoxalin-2-yl)methanone
CID 107356849
(4-methoxyphenyl)-quinoxalin-2-ylmethanol
CID 107357547
cyclopenten-1-yl(phenyl)methanol
CID 62079270
N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine
CID 106652952
(1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol
CID 102524344
(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol
CID 107357767

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(quinoxalin-2-yl)methanol?
The IUPAC name of cyclohexen-1-yl(quinoxalin-2-yl)methanol (CID 107357780) is cyclohexen-1-yl(quinoxalin-2-yl)methanol.
What is the SMILES notation for cyclohexen-1-yl(quinoxalin-2-yl)methanol?
The canonical SMILES for cyclohexen-1-yl(quinoxalin-2-yl)methanol is OC(C1=CCCCC1)c1cnc2ccccc2n1.
What is the InChIKey of cyclohexen-1-yl(quinoxalin-2-yl)methanol?
The InChIKey is OMWBTNKGPWOBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)17-14/h4-6,8-10,15,18H,1-3,7H2.
What are the key properties of cyclohexen-1-yl(quinoxalin-2-yl)methanol?
cyclohexen-1-yl(quinoxalin-2-yl)methanol has a molecular weight of 240.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(quinoxalin-2-yl)methanol is sourced from PubChem (CID 107357780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).