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

C10H13NO2 — CID 83816822

IUPAC(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
SMILESCc1ccc2c(c1)OCC(CO)N2
InChIInChI=1S/C10H13NO2/c1-7-2-3-9-10(4-7)13-6-8(5-12)11-9/h2-4,8,11-12H,5-6H2,1H3
InChIKeyKLXSAIKATOTSEM-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.16
Rot. Bonds1

About (7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol

(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol (PubChem CID 83816822) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol.

Molecular Properties

Compound Name(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
PubChem CID83816822
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
SMILESCc1ccc2c(c1)OCC(CO)N2
InChIInChI=1S/C10H13NO2/c1-7-2-3-9-10(4-7)13-6-8(5-12)11-9/h2-4,8,11-12H,5-6H2,1H3
InChIKeyKLXSAIKATOTSEM-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
The IUPAC name of (7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol (CID 83816822) is (7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol.
What is the SMILES notation for (7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
The canonical SMILES for (7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol is Cc1ccc2c(c1)OCC(CO)N2.
What is the InChIKey of (7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
The InChIKey is KLXSAIKATOTSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-2-3-9-10(4-7)13-6-8(5-12)11-9/h2-4,8,11-12H,5-6H2,1H3.
What are the key properties of (7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol has a molecular weight of 179.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol is sourced from PubChem (CID 83816822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).