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

C13H17NO2 — CID 25197669

IUPAC[3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol
SMILESCc1ccc(C2=NOC(CO)CC2)cc1C
InChIInChI=1S/C13H17NO2/c1-9-3-4-11(7-10(9)2)13-6-5-12(8-15)16-14-13/h3-4,7,12,15H,5-6,8H2,1-2H3
InChIKeyGHWSHTCXNMQKCC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.18
Rot. Bonds2

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

[3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol (PubChem CID 25197669) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol.

Molecular Properties

Compound Name[3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol
PubChem CID25197669
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol
SMILESCc1ccc(C2=NOC(CO)CC2)cc1C
InChIInChI=1S/C13H17NO2/c1-9-3-4-11(7-10(9)2)13-6-5-12(8-15)16-14-13/h3-4,7,12,15H,5-6,8H2,1-2H3
InChIKeyGHWSHTCXNMQKCC-UHFFFAOYSA-N
XLogP2.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
The IUPAC name of [3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol (CID 25197669) is [3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol.
What is the SMILES notation for [3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
The canonical SMILES for [3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol is Cc1ccc(C2=NOC(CO)CC2)cc1C.
What is the InChIKey of [3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
The InChIKey is GHWSHTCXNMQKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-3-4-11(7-10(9)2)13-6-5-12(8-15)16-14-13/h3-4,7,12,15H,5-6,8H2,1-2H3.
What are the key properties of [3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
[3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol has a molecular weight of 219.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol is sourced from PubChem (CID 25197669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).