3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine

C18H21NO2 — CID 71457427

IUPAC3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(C2COc3c(C)c(C)cc(C)c3N2)cc1
InChIInChI=1S/C18H21NO2/c1-11-9-12(2)17-18(13(11)3)21-10-16(19-17)14-5-7-15(20-4)8-6-14/h5-9,16,19H,10H2,1-4H3
InChIKeyRIERFMOCYSQLLY-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.17
Rot. Bonds2

About 3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine

3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 71457427) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID71457427
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(C2COc3c(C)c(C)cc(C)c3N2)cc1
InChIInChI=1S/C18H21NO2/c1-11-9-12(2)17-18(13(11)3)21-10-16(19-17)14-5-7-15(20-4)8-6-14/h5-9,16,19H,10H2,1-4H3
InChIKeyRIERFMOCYSQLLY-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 71457427) is 3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine is COc1ccc(C2COc3c(C)c(C)cc(C)c3N2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is RIERFMOCYSQLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11-9-12(2)17-18(13(11)3)21-10-16(19-17)14-5-7-15(20-4)8-6-14/h5-9,16,19H,10H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 283.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 71457427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).