3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine

C16H17NO2 — CID 116837497

IUPAC3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1cccc(C2COc3ccc(C)cc3N2)c1
InChIInChI=1S/C16H17NO2/c1-11-6-7-16-14(8-11)17-15(10-19-16)12-4-3-5-13(9-12)18-2/h3-9,15,17H,10H2,1-2H3
InChIKeyFJQYKOWFTISYEX-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.55
Rot. Bonds2

About 3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine

3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116837497) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116837497
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1cccc(C2COc3ccc(C)cc3N2)c1
InChIInChI=1S/C16H17NO2/c1-11-6-7-16-14(8-11)17-15(10-19-16)12-4-3-5-13(9-12)18-2/h3-9,15,17H,10H2,1-2H3
InChIKeyFJQYKOWFTISYEX-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 116837497) is 3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine is COc1cccc(C2COc3ccc(C)cc3N2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is FJQYKOWFTISYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-6-7-16-14(8-11)17-15(10-19-16)12-4-3-5-13(9-12)18-2/h3-9,15,17H,10H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 255.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116837497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).