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

C16H15NO2 — CID 1489664

IUPAC3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine
SMILESCOc1ccc(C2=Nc3cc(C)ccc3OC2)cc1
InChIInChI=1S/C16H15NO2/c1-11-3-8-16-14(9-11)17-15(10-19-16)12-4-6-13(18-2)7-5-12/h3-9H,10H2,1-2H3
InChIKeyIJSRZRBTLZHKOY-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.52
Rot. Bonds2

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

3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine (PubChem CID 1489664) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine
PubChem CID1489664
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine
SMILESCOc1ccc(C2=Nc3cc(C)ccc3OC2)cc1
InChIInChI=1S/C16H15NO2/c1-11-3-8-16-14(9-11)17-15(10-19-16)12-4-6-13(18-2)7-5-12/h3-9H,10H2,1-2H3
InChIKeyIJSRZRBTLZHKOY-UHFFFAOYSA-N
XLogP3.52
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine?
The IUPAC name of 3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine (CID 1489664) is 3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine is COc1ccc(C2=Nc3cc(C)ccc3OC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine?
The InChIKey is IJSRZRBTLZHKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-3-8-16-14(9-11)17-15(10-19-16)12-4-6-13(18-2)7-5-12/h3-9H,10H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine?
3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine has a molecular weight of 253.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine is sourced from PubChem (CID 1489664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).