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

C10H13NO3 — CID 83818542

IUPAC(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
SMILESCOc1ccc2c(c1)NC(CO)CO2
InChIInChI=1S/C10H13NO3/c1-13-8-2-3-10-9(4-8)11-7(5-12)6-14-10/h2-4,7,11-12H,5-6H2,1H3
InChIKeyIKXMMBMBARLDIK-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.86
Rot. Bonds2

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

(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol (PubChem CID 83818542) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol.

Molecular Properties

Compound Name(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
PubChem CID83818542
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
SMILESCOc1ccc2c(c1)NC(CO)CO2
InChIInChI=1S/C10H13NO3/c1-13-8-2-3-10-9(4-8)11-7(5-12)6-14-10/h2-4,7,11-12H,5-6H2,1H3
InChIKeyIKXMMBMBARLDIK-UHFFFAOYSA-N
XLogP0.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
The IUPAC name of (6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol (CID 83818542) is (6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol.
What is the SMILES notation for (6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
The canonical SMILES for (6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol is COc1ccc2c(c1)NC(CO)CO2.
What is the InChIKey of (6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
The InChIKey is IKXMMBMBARLDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-13-8-2-3-10-9(4-8)11-7(5-12)6-14-10/h2-4,7,11-12H,5-6H2,1H3.
What are the key properties of (6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol has a molecular weight of 195.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol is sourced from PubChem (CID 83818542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).