[6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol

C14H19NO5 — CID 79172447

IUPAC[6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
SMILESCN1CCOC(COc2cc3c(cc2CO)OCO3)C1
InChIInChI=1S/C14H19NO5/c1-15-2-3-17-11(6-15)8-18-12-5-14-13(19-9-20-14)4-10(12)7-16/h4-5,11,16H,2-3,6-9H2,1H3
InChIKeyZFGZQUUZJICIRF-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.62
Rot. Bonds4

About [6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol

[6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol (PubChem CID 79172447) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is [6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol.

Molecular Properties

Compound Name[6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
PubChem CID79172447
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name[6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
SMILESCN1CCOC(COc2cc3c(cc2CO)OCO3)C1
InChIInChI=1S/C14H19NO5/c1-15-2-3-17-11(6-15)8-18-12-5-14-13(19-9-20-14)4-10(12)7-16/h4-5,11,16H,2-3,6-9H2,1H3
InChIKeyZFGZQUUZJICIRF-UHFFFAOYSA-N
XLogP0.62
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol with MolForge

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Related Compounds

[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
[6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol
CID 55012960
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 112612743
N-[[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]ethanamine
CID 79171680
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
[3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 79171963
4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 107656463
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine
CID 58005244
5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 114415689

Frequently Asked Questions

What is the IUPAC name of [6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol?
The IUPAC name of [6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol (CID 79172447) is [6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol.
What is the SMILES notation for [6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol?
The canonical SMILES for [6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol is CN1CCOC(COc2cc3c(cc2CO)OCO3)C1.
What is the InChIKey of [6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol?
The InChIKey is ZFGZQUUZJICIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-15-2-3-17-11(6-15)8-18-12-5-14-13(19-9-20-14)4-10(12)7-16/h4-5,11,16H,2-3,6-9H2,1H3.
What are the key properties of [6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol?
[6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol has a molecular weight of 281.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol is sourced from PubChem (CID 79172447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).