2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol

C16H21NO3 — CID 114724818

IUPAC2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol
SMILESCc1ccc2oc(C(C)(O)CC3COCCN3)cc2c1
InChIInChI=1S/C16H21NO3/c1-11-3-4-14-12(7-11)8-15(20-14)16(2,18)9-13-10-19-6-5-17-13/h3-4,7-8,13,17-18H,5-6,9-10H2,1-2H3
InChIKeyMGIUEFWHXGJWMH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.33
Rot. Bonds3

About 2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol

2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol (PubChem CID 114724818) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol.

Molecular Properties

Compound Name2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol
PubChem CID114724818
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol
SMILESCc1ccc2oc(C(C)(O)CC3COCCN3)cc2c1
InChIInChI=1S/C16H21NO3/c1-11-3-4-14-12(7-11)8-15(20-14)16(2,18)9-13-10-19-6-5-17-13/h3-4,7-8,13,17-18H,5-6,9-10H2,1-2H3
InChIKeyMGIUEFWHXGJWMH-UHFFFAOYSA-N
XLogP2.33
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methylphenyl)-1-morpholin-3-ylpropan-2-ol
CID 107559679
2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol
CID 113462063
1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol
CID 114723249
1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 107140363
1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114795009
2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114735149
2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol
CID 116542872
1-(4-chloro-2-fluorophenyl)-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 114852724
2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238123
N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 106607339
2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol
CID 114727398
4-[1-hydroxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]benzonitrile
CID 114724520

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol?
The IUPAC name of 2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol (CID 114724818) is 2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol.
What is the SMILES notation for 2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol?
The canonical SMILES for 2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol is Cc1ccc2oc(C(C)(O)CC3COCCN3)cc2c1.
What is the InChIKey of 2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol?
The InChIKey is MGIUEFWHXGJWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-3-4-14-12(7-11)8-15(20-14)16(2,18)9-13-10-19-6-5-17-13/h3-4,7-8,13,17-18H,5-6,9-10H2,1-2H3.
What are the key properties of 2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol?
2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol is sourced from PubChem (CID 114724818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).