2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol

C11H15NO2 — CID 89163021

IUPAC2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol
SMILESCc1ccc2c(c1)O[C@H](CCO)CN2
InChIInChI=1S/C11H15NO2/c1-8-2-3-10-11(6-8)14-9(4-5-13)7-12-10/h2-3,6,9,12-13H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyYQCQITWZPIPLGA-SECBINFHSA-N
MW193.25 g/mol
LogP1.55
Rot. Bonds2

About 2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol

2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol (PubChem CID 89163021) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol
PubChem CID89163021
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol
SMILESCc1ccc2c(c1)O[C@H](CCO)CN2
InChIInChI=1S/C11H15NO2/c1-8-2-3-10-11(6-8)14-9(4-5-13)7-12-10/h2-3,6,9,12-13H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyYQCQITWZPIPLGA-SECBINFHSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol (CID 89163021) is 2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol is Cc1ccc2c(c1)O[C@H](CCO)CN2.
What is the InChIKey of 2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol?
The InChIKey is YQCQITWZPIPLGA-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-2-3-10-11(6-8)14-9(4-5-13)7-12-10/h2-3,6,9,12-13H,4-5,7H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol?
2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol has a molecular weight of 193.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol is sourced from PubChem (CID 89163021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).