[(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol

C11H15NO2 — CID 58765444

IUPAC[(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
SMILESCc1cccc2c1O[C@H](CO)CN2C
InChIInChI=1S/C11H15NO2/c1-8-4-3-5-10-11(8)14-9(7-13)6-12(10)2/h3-5,9,13H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyOMWQDEBWYJLNJV-VIFPVBQESA-N
MW193.25 g/mol
LogP1.18
Rot. Bonds1

About [(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol

[(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol (PubChem CID 58765444) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
PubChem CID58765444
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol
SMILESCc1cccc2c1O[C@H](CO)CN2C
InChIInChI=1S/C11H15NO2/c1-8-4-3-5-10-11(8)14-9(7-13)6-12(10)2/h3-5,9,13H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyOMWQDEBWYJLNJV-VIFPVBQESA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
The IUPAC name of [(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol (CID 58765444) is [(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol.
What is the SMILES notation for [(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
The canonical SMILES for [(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol is Cc1cccc2c1O[C@H](CO)CN2C.
What is the InChIKey of [(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
The InChIKey is OMWQDEBWYJLNJV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-4-3-5-10-11(8)14-9(7-13)6-12(10)2/h3-5,9,13H,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of [(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol?
[(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol has a molecular weight of 193.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol is sourced from PubChem (CID 58765444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).