2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine

C18H17NO2 — CID 74947618

IUPAC2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine
SMILESCOc1ccc(C2=NC(C)C=C(c3ccccc3)O2)cc1
InChIInChI=1S/C18H17NO2/c1-13-12-17(14-6-4-3-5-7-14)21-18(19-13)15-8-10-16(20-2)11-9-15/h3-13H,1-2H3
InChIKeyTVDGJOCCDQWAIN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.90
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine

2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine (PubChem CID 74947618) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine
PubChem CID74947618
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine
SMILESCOc1ccc(C2=NC(C)C=C(c3ccccc3)O2)cc1
InChIInChI=1S/C18H17NO2/c1-13-12-17(14-6-4-3-5-7-14)21-18(19-13)15-8-10-16(20-2)11-9-15/h3-13H,1-2H3
InChIKeyTVDGJOCCDQWAIN-UHFFFAOYSA-N
XLogP3.90
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)-2,4-diphenyl-2H-pyran
CID 57376774
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
7-methoxy-2,4-diphenyl-4H-chromene
CID 10380919
2-(4-methoxyphenyl)-4H-1,3-benzoxazine-4-carbaldehyde
CID 174777802
CID 134852077
CID 134852077
3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole
CID 15528346
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one
CID 15140152
methyl (4S,5S)-2-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923484
(3S,4R)-3-ethyl-4-(4-methoxyphenyl)-6-phenyl-3,4-dihydropyran-2-one
CID 102386205

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine (CID 74947618) is 2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine is COc1ccc(C2=NC(C)C=C(c3ccccc3)O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine?
The InChIKey is TVDGJOCCDQWAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-12-17(14-6-4-3-5-7-14)21-18(19-13)15-8-10-16(20-2)11-9-15/h3-13H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine?
2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine has a molecular weight of 279.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine is sourced from PubChem (CID 74947618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).