2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol

C20H24N2O4 — CID 11792584

IUPAC2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol
SMILESCN1C[C@@H]2O[C@H](c3ccccc3O)N(C)C[C@@H]2O[C@@H]1c1ccccc1O
InChIInChI=1S/C20H24N2O4/c1-21-11-17-18(25-19(21)13-7-3-5-9-15(13)23)12-22(2)20(26-17)14-8-4-6-10-16(14)24/h3-10,17-20,23-24H,11-12H2,1-2H3/t17-,18-,19+,20+/m0/s1
InChIKeyMYBXABGEBLTPDJ-VNTMZGSJSA-N
MW356.42 g/mol
LogP2.46
Rot. Bonds2

About 2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol

2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol (PubChem CID 11792584) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol.

Molecular Properties

Compound Name2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol
PubChem CID11792584
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol
SMILESCN1C[C@@H]2O[C@H](c3ccccc3O)N(C)C[C@@H]2O[C@@H]1c1ccccc1O
InChIInChI=1S/C20H24N2O4/c1-21-11-17-18(25-19(21)13-7-3-5-9-15(13)23)12-22(2)20(26-17)14-8-4-6-10-16(14)24/h3-10,17-20,23-24H,11-12H2,1-2H3/t17-,18-,19+,20+/m0/s1
InChIKeyMYBXABGEBLTPDJ-VNTMZGSJSA-N
XLogP2.46
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol?
The IUPAC name of 2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol (CID 11792584) is 2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol.
What is the SMILES notation for 2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol?
The canonical SMILES for 2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol is CN1C[C@@H]2O[C@H](c3ccccc3O)N(C)C[C@@H]2O[C@@H]1c1ccccc1O.
What is the InChIKey of 2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol?
The InChIKey is MYBXABGEBLTPDJ-VNTMZGSJSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-21-11-17-18(25-19(21)13-7-3-5-9-15(13)23)12-22(2)20(26-17)14-8-4-6-10-16(14)24/h3-10,17-20,23-24H,11-12H2,1-2H3/t17-,18-,19+,20+/m0/s1.
What are the key properties of 2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol?
2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol has a molecular weight of 356.42 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol is sourced from PubChem (CID 11792584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).