[3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol

C12H15NO2 — CID 11390107

IUPAC[3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol
SMILESCc1ccc(C2=NOC(CO)CC2)cc1
InChIInChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)12-7-6-11(8-14)15-13-12/h2-5,11,14H,6-8H2,1H3
InChIKeyWOKXBRDASTVJNE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.87
Rot. Bonds2

About [3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol

[3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol (PubChem CID 11390107) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol.

Molecular Properties

Compound Name[3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol
PubChem CID11390107
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol
SMILESCc1ccc(C2=NOC(CO)CC2)cc1
InChIInChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)12-7-6-11(8-14)15-13-12/h2-5,11,14H,6-8H2,1H3
InChIKeyWOKXBRDASTVJNE-UHFFFAOYSA-N
XLogP1.87
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
The IUPAC name of [3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol (CID 11390107) is [3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol.
What is the SMILES notation for [3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
The canonical SMILES for [3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol is Cc1ccc(C2=NOC(CO)CC2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
The InChIKey is WOKXBRDASTVJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)12-7-6-11(8-14)15-13-12/h2-5,11,14H,6-8H2,1H3.
What are the key properties of [3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
[3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol has a molecular weight of 205.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol is sourced from PubChem (CID 11390107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).