1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol

C12H17NO3 — CID 117236081

IUPAC1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
SMILESCOc1ccc2c(c1)N(CC(C)O)CCO2
InChIInChI=1S/C12H17NO3/c1-9(14)8-13-5-6-16-12-4-3-10(15-2)7-11(12)13/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyQVGYRNKIQLDFJO-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.27
Rot. Bonds3

About 1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol

1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol (PubChem CID 117236081) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
PubChem CID117236081
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
SMILESCOc1ccc2c(c1)N(CC(C)O)CCO2
InChIInChI=1S/C12H17NO3/c1-9(14)8-13-5-6-16-12-4-3-10(15-2)7-11(12)13/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyQVGYRNKIQLDFJO-UHFFFAOYSA-N
XLogP1.27
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
CID 117236074
2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 83754217
1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one
CID 170557199
6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride
CID 119931762
4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine
CID 75508160
6-bromo-4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 68788129
dimethylcarbamoyl 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylate
CID 145271092
4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol
CID 82340098
2-chloro-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82340103
[4-(2-fluoroethyl)-2,3-dihydro-1,4-benzoxazin-6-yl] benzoate
CID 118130711
4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine
CID 67059916
1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-pyrazol-1-ylphenyl)ethanone
CID 71993981

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
The IUPAC name of 1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol (CID 117236081) is 1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol.
What is the SMILES notation for 1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
The canonical SMILES for 1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol is COc1ccc2c(c1)N(CC(C)O)CCO2.
What is the InChIKey of 1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
The InChIKey is QVGYRNKIQLDFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)8-13-5-6-16-12-4-3-10(15-2)7-11(12)13/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of 1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol has a molecular weight of 223.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol is sourced from PubChem (CID 117236081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).