3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol

C11H15NO2 — CID 121222831

IUPAC3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol
SMILESCC(C)N1COc2ccc(O)cc2C1
InChIInChI=1S/C11H15NO2/c1-8(2)12-6-9-5-10(13)3-4-11(9)14-7-12/h3-5,8,13H,6-7H2,1-2H3
InChIKeyKBBGEFGHQNFWOJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.95
Rot. Bonds1

About 3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol

3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol (PubChem CID 121222831) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol.

Molecular Properties

Compound Name3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol
PubChem CID121222831
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol
SMILESCC(C)N1COc2ccc(O)cc2C1
InChIInChI=1S/C11H15NO2/c1-8(2)12-6-9-5-10(13)3-4-11(9)14-7-12/h3-5,8,13H,6-7H2,1-2H3
InChIKeyKBBGEFGHQNFWOJ-UHFFFAOYSA-N
XLogP1.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol?
The IUPAC name of 3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol (CID 121222831) is 3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol.
What is the SMILES notation for 3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol?
The canonical SMILES for 3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol is CC(C)N1COc2ccc(O)cc2C1.
What is the InChIKey of 3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol?
The InChIKey is KBBGEFGHQNFWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)12-6-9-5-10(13)3-4-11(9)14-7-12/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol?
3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol has a molecular weight of 193.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol is sourced from PubChem (CID 121222831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).