6,6-dimethyl-3-phenyl-4,5-dihydrooxazine

C12H15NO — CID 91730354

IUPAC6,6-dimethyl-3-phenyl-4,5-dihydrooxazine
SMILESCC1(C)CCC(c2ccccc2)=NO1
InChIInChI=1S/C12H15NO/c1-12(2)9-8-11(13-14-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyHZBFETZKSZJVPL-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.98
Rot. Bonds1

About 6,6-dimethyl-3-phenyl-4,5-dihydrooxazine

6,6-dimethyl-3-phenyl-4,5-dihydrooxazine (PubChem CID 91730354) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 6,6-dimethyl-3-phenyl-4,5-dihydrooxazine.

Molecular Properties

Compound Name6,6-dimethyl-3-phenyl-4,5-dihydrooxazine
PubChem CID91730354
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name6,6-dimethyl-3-phenyl-4,5-dihydrooxazine
SMILESCC1(C)CCC(c2ccccc2)=NO1
InChIInChI=1S/C12H15NO/c1-12(2)9-8-11(13-14-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyHZBFETZKSZJVPL-UHFFFAOYSA-N
XLogP2.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Acetophenone oxime
CID 5464950
Acetophenonoxime
CID 69185
Benzophenone, O-methyloxime
CID 247342
1-Phenyl-1-ethanone oxime
CID 5324612
2-Pentanone, 4-hydroxy-1-phenyl-5,5,5-trifluoro-4-(trifluoromethyl)-, oxime
CID 5464796
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-ol
CID 13307489
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
4,5-Dihydro-5-methyl-3,5-diphenylisoxazole
CID 368754
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273
Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-, oxime
CID 6069848
1-(1-Hydroxycyclohexyl)-3-phenyl-1-propanone oxime
CID 5718752

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-phenyl-4,5-dihydrooxazine?
The IUPAC name of 6,6-dimethyl-3-phenyl-4,5-dihydrooxazine (CID 91730354) is 6,6-dimethyl-3-phenyl-4,5-dihydrooxazine.
What is the SMILES notation for 6,6-dimethyl-3-phenyl-4,5-dihydrooxazine?
The canonical SMILES for 6,6-dimethyl-3-phenyl-4,5-dihydrooxazine is CC1(C)CCC(c2ccccc2)=NO1.
What is the InChIKey of 6,6-dimethyl-3-phenyl-4,5-dihydrooxazine?
The InChIKey is HZBFETZKSZJVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2)9-8-11(13-14-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-phenyl-4,5-dihydrooxazine?
6,6-dimethyl-3-phenyl-4,5-dihydrooxazine has a molecular weight of 189.26 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-phenyl-4,5-dihydrooxazine is sourced from PubChem (CID 91730354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).