3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol

C10H13NO2 — CID 115095335

IUPAC3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol
SMILESCC1(C)COc2ccc(O)cc2N1
InChIInChI=1S/C10H13NO2/c1-10(2)6-13-9-4-3-7(12)5-8(9)11-10/h3-5,11-12H,6H2,1-2H3
InChIKeyOLYAQLVKXGQLJJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.98
Rot. Bonds

About 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol

3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol (PubChem CID 115095335) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol
PubChem CID115095335
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol
SMILESCC1(C)COc2ccc(O)cc2N1
InChIInChI=1S/C10H13NO2/c1-10(2)6-13-9-4-3-7(12)5-8(9)11-10/h3-5,11-12H,6H2,1-2H3
InChIKeyOLYAQLVKXGQLJJ-UHFFFAOYSA-N
XLogP1.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol with MolForge

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

Launch Full Analysis

Related Compounds

spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol
CID 115099341
3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine
CID 84618421
3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine
CID 84618446
7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
CID 90392310
3,3-dimethyl-7-(trifluoromethyl)-2,4-dihydro-1,4-benzoxazine
CID 115095228
7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82490641
2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine
CID 84621824
12,12-dimethyl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
CID 132602735
methyl 2,6-dihydroxy-3H-1,4-benzodioxine-2-carboxylate
CID 174536286
6-hydroxy-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
CID 117110717
4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol
CID 115095246
3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol
CID 142068243

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol?
The IUPAC name of 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol (CID 115095335) is 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol?
The canonical SMILES for 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol is CC1(C)COc2ccc(O)cc2N1.
What is the InChIKey of 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol?
The InChIKey is OLYAQLVKXGQLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2)6-13-9-4-3-7(12)5-8(9)11-10/h3-5,11-12H,6H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol?
3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol has a molecular weight of 179.22 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol is sourced from PubChem (CID 115095335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).