8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol

C11H15NO3 — CID 156571183

IUPAC8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol
SMILESCC(C)c1ccc(O)c2c1OCC(O)N2
InChIInChI=1S/C11H15NO3/c1-6(2)7-3-4-8(13)10-11(7)15-5-9(14)12-10/h3-4,6,9,12-14H,5H2,1-2H3
InChIKeyPEEFBNIUXLIVPH-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.64
Rot. Bonds1

About 8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol

8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol (PubChem CID 156571183) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol.

Molecular Properties

Compound Name8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol
PubChem CID156571183
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol
SMILESCC(C)c1ccc(O)c2c1OCC(O)N2
InChIInChI=1S/C11H15NO3/c1-6(2)7-3-4-8(13)10-11(7)15-5-9(14)12-10/h3-4,6,9,12-14H,5H2,1-2H3
InChIKeyPEEFBNIUXLIVPH-UHFFFAOYSA-N
XLogP1.64
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol?
The IUPAC name of 8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol (CID 156571183) is 8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol.
What is the SMILES notation for 8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol?
The canonical SMILES for 8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol is CC(C)c1ccc(O)c2c1OCC(O)N2.
What is the InChIKey of 8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol?
The InChIKey is PEEFBNIUXLIVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-6(2)7-3-4-8(13)10-11(7)15-5-9(14)12-10/h3-4,6,9,12-14H,5H2,1-2H3.
What are the key properties of 8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol?
8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol has a molecular weight of 209.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3,5-diol is sourced from PubChem (CID 156571183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).