3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol

C16H23NO3 — CID 79087386

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol
SMILESCN1CCOC(C(O)CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C16H23NO3/c1-17-7-9-20-16(11-17)14(18)4-2-12-3-5-15-13(10-12)6-8-19-15/h3,5,10,14,16,18H,2,4,6-9,11H2,1H3
InChIKeyLUAGVNNCJCSVOX-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.25
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol (PubChem CID 79087386) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol
PubChem CID79087386
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol
SMILESCN1CCOC(C(O)CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C16H23NO3/c1-17-7-9-20-16(11-17)14(18)4-2-12-3-5-15-13(10-12)6-8-19-15/h3,5,10,14,16,18H,2,4,6-9,11H2,1H3
InChIKeyLUAGVNNCJCSVOX-UHFFFAOYSA-N
XLogP1.25
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80506838
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
CID 154807715
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
CID 65446454
4-(1-bromoethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 106838375
2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79086894
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65447174
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 115665607

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol (CID 79087386) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol is CN1CCOC(C(O)CCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol?
The InChIKey is LUAGVNNCJCSVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17-7-9-20-16(11-17)14(18)4-2-12-3-5-15-13(10-12)6-8-19-15/h3,5,10,14,16,18H,2,4,6-9,11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol has a molecular weight of 277.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol is sourced from PubChem (CID 79087386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).