1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol

C16H19NO4 — CID 70318801

IUPAC1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol
SMILESC=C(O)c1cc2cc(OCC3CN(C)CCO3)ccc2o1
InChIInChI=1S/C16H19NO4/c1-11(18)16-8-12-7-13(3-4-15(12)21-16)20-10-14-9-17(2)5-6-19-14/h3-4,7-8,14,18H,1,5-6,9-10H2,2H3
InChIKeyWSLIONZMDNSWPP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.67
Rot. Bonds4

About 1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol

1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol (PubChem CID 70318801) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol.

Molecular Properties

Compound Name1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol
PubChem CID70318801
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol
SMILESC=C(O)c1cc2cc(OCC3CN(C)CCO3)ccc2o1
InChIInChI=1S/C16H19NO4/c1-11(18)16-8-12-7-13(3-4-15(12)21-16)20-10-14-9-17(2)5-6-19-14/h3-4,7-8,14,18H,1,5-6,9-10H2,2H3
InChIKeyWSLIONZMDNSWPP-UHFFFAOYSA-N
XLogP2.67
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
(2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid
CID 143391238
4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 79171418
2-chloro-4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 102724337
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 79182948
1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 83134489
N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79171845
(1S)-1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-1-ol
CID 79172364
3-methoxy-5-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 103567448

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol?
The IUPAC name of 1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol (CID 70318801) is 1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol.
What is the SMILES notation for 1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol?
The canonical SMILES for 1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol is C=C(O)c1cc2cc(OCC3CN(C)CCO3)ccc2o1.
What is the InChIKey of 1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol?
The InChIKey is WSLIONZMDNSWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(18)16-8-12-7-13(3-4-15(12)21-16)20-10-14-9-17(2)5-6-19-14/h3-4,7-8,14,18H,1,5-6,9-10H2,2H3.
What are the key properties of 1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol?
1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol has a molecular weight of 289.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol is sourced from PubChem (CID 70318801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).