(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol

C10H13NO2 — CID 75357445

IUPAC(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol
SMILESCN1CCOc2ccc(CO)cc21
InChIInChI=1S/C10H13NO2/c1-11-4-5-13-10-3-2-8(7-12)6-9(10)11/h2-3,6,12H,4-5,7H2,1H3
InChIKeyCEXPHEHOIYBJSS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.01
Rot. Bonds1

About (4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol

(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol (PubChem CID 75357445) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol.

Molecular Properties

Compound Name(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol
PubChem CID75357445
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol
SMILESCN1CCOc2ccc(CO)cc21
InChIInChI=1S/C10H13NO2/c1-11-4-5-13-10-3-2-8(7-12)6-9(10)11/h2-3,6,12H,4-5,7H2,1H3
InChIKeyCEXPHEHOIYBJSS-UHFFFAOYSA-N
XLogP1.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol?
The IUPAC name of (4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol (CID 75357445) is (4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol.
What is the SMILES notation for (4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol?
The canonical SMILES for (4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol is CN1CCOc2ccc(CO)cc21.
What is the InChIKey of (4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol?
The InChIKey is CEXPHEHOIYBJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-4-5-13-10-3-2-8(7-12)6-9(10)11/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of (4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol?
(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol has a molecular weight of 179.22 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol is sourced from PubChem (CID 75357445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).