(3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine

C13H17NO2 — CID 124581354

IUPAC(3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine
SMILESCOc1ccc([C@H]2ON[C@H](C)C=C2C)cc1
InChIInChI=1S/C13H17NO2/c1-9-8-10(2)14-16-13(9)11-4-6-12(15-3)7-5-11/h4-8,10,13-14H,1-3H3/t10-,13+/m1/s1
InChIKeyNDOWTCJTXMFCSO-MFKMUULPSA-N
MW219.28 g/mol
LogP2.61
Rot. Bonds2

About (3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine

(3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine (PubChem CID 124581354) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine.

Molecular Properties

Compound Name(3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine
PubChem CID124581354
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine
SMILESCOc1ccc([C@H]2ON[C@H](C)C=C2C)cc1
InChIInChI=1S/C13H17NO2/c1-9-8-10(2)14-16-13(9)11-4-6-12(15-3)7-5-11/h4-8,10,13-14H,1-3H3/t10-,13+/m1/s1
InChIKeyNDOWTCJTXMFCSO-MFKMUULPSA-N
XLogP2.61
TPSA30.49 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine with MolForge

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Related Compounds

6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
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CID 14681590
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CID 105438001
4-(4-methoxyphenyl)-1,3-oxazolidine
CID 86040633
(3S,5R)-3-(2-hydroxypropan-2-yl)-5-(4-methoxyphenyl)-1,2-oxazolidin-3-ol
CID 699713
(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol
CID 102589589
(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
CID 25233008
(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one
CID 10330960
1-(113C)methoxy-4-methylbenzene
CID 166176950
(1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran
CID 164668460
(2S)-2-(4-methoxyphenyl)chromene-3,4-dione
CID 129410506
3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole
CID 71394330

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine?
The IUPAC name of (3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine (CID 124581354) is (3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine.
What is the SMILES notation for (3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine?
The canonical SMILES for (3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine is COc1ccc([C@H]2ON[C@H](C)C=C2C)cc1.
What is the InChIKey of (3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine?
The InChIKey is NDOWTCJTXMFCSO-MFKMUULPSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-8-10(2)14-16-13(9)11-4-6-12(15-3)7-5-11/h4-8,10,13-14H,1-3H3/t10-,13+/m1/s1.
What are the key properties of (3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine?
(3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine has a molecular weight of 219.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-(4-methoxyphenyl)-3,5-dimethyl-3,6-dihydro-2H-oxazine is sourced from PubChem (CID 124581354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).