2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol

C17H19NO3 — CID 117072123

IUPAC2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol
SMILESCOc1cc(-c2ccc3c(c2)OCCN3C)cc(C)c1O
InChIInChI=1S/C17H19NO3/c1-11-8-13(10-16(20-3)17(11)19)12-4-5-14-15(9-12)21-7-6-18(14)2/h4-5,8-10,19H,6-7H2,1-3H3
InChIKeyRZARGVUVKRIAGU-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.20
Rot. Bonds2

About 2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol

2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol (PubChem CID 117072123) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol
PubChem CID117072123
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol
SMILESCOc1cc(-c2ccc3c(c2)OCCN3C)cc(C)c1O
InChIInChI=1S/C17H19NO3/c1-11-8-13(10-16(20-3)17(11)19)12-4-5-14-15(9-12)21-7-6-18(14)2/h4-5,8-10,19H,6-7H2,1-3H3
InChIKeyRZARGVUVKRIAGU-UHFFFAOYSA-N
XLogP3.20
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol?
The IUPAC name of 2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol (CID 117072123) is 2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol.
What is the SMILES notation for 2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol?
The canonical SMILES for 2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol is COc1cc(-c2ccc3c(c2)OCCN3C)cc(C)c1O.
What is the InChIKey of 2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol?
The InChIKey is RZARGVUVKRIAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-8-13(10-16(20-3)17(11)19)12-4-5-14-15(9-12)21-7-6-18(14)2/h4-5,8-10,19H,6-7H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol?
2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol has a molecular weight of 285.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol is sourced from PubChem (CID 117072123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).