3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol

C13H15NO3 — CID 84696625

IUPAC3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol
SMILESOc1cccc2c(CN3CCOCC3)coc12
InChIInChI=1S/C13H15NO3/c15-12-3-1-2-11-10(9-17-13(11)12)8-14-4-6-16-7-5-14/h1-3,9,15H,4-8H2
InChIKeyXTUMWPFNZHOKDI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.97
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol

3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol (PubChem CID 84696625) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol
PubChem CID84696625
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol
SMILESOc1cccc2c(CN3CCOCC3)coc12
InChIInChI=1S/C13H15NO3/c15-12-3-1-2-11-10(9-17-13(11)12)8-14-4-6-16-7-5-14/h1-3,9,15H,4-8H2
InChIKeyXTUMWPFNZHOKDI-UHFFFAOYSA-N
XLogP1.97
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(morpholin-4-ylmethyl)-2-phenylphenol
CID 174703576
3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174369
7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride
CID 126476287
4-(quinolin-5-ylmethyl)-1,4-oxazepane
CID 29183639
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 9481437
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
3-amino-2-(morpholin-4-ylmethyl)phenol;azane
CID 69382401
5-amino-2-(morpholin-4-ylmethyl)phenol
CID 19799808
4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride
CID 165434083
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
5-(azepan-1-ylmethyl)-4-hydroxy-3-(morpholin-4-ylmethyl)pyran-2-one
CID 71701165

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol?
The IUPAC name of 3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol (CID 84696625) is 3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol is Oc1cccc2c(CN3CCOCC3)coc12.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol?
The InChIKey is XTUMWPFNZHOKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12-3-1-2-11-10(9-17-13(11)12)8-14-4-6-16-7-5-14/h1-3,9,15H,4-8H2.
What are the key properties of 3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol?
3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol has a molecular weight of 233.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol is sourced from PubChem (CID 84696625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).