[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol

C15H21NO2 — CID 102935829

IUPAC[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CC2Cc3ccccc32)CC(CO)O1
InChIInChI=1S/C15H21NO2/c1-11-7-16(9-14(10-17)18-11)8-13-6-12-4-2-3-5-15(12)13/h2-5,11,13-14,17H,6-10H2,1H3
InChIKeyITFBDSJLXHJCDP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.41
Rot. Bonds3

About [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol

[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol (PubChem CID 102935829) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol
PubChem CID102935829
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CC2Cc3ccccc32)CC(CO)O1
InChIInChI=1S/C15H21NO2/c1-11-7-16(9-14(10-17)18-11)8-13-6-12-4-2-3-5-15(12)13/h2-5,11,13-14,17H,6-10H2,1H3
InChIKeyITFBDSJLXHJCDP-UHFFFAOYSA-N
XLogP1.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol with MolForge

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Related Compounds

2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine
CID 102936725
(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 129429378
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66418763
[6-methyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 102935937
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
CID 66394300
5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one
CID 102936279
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methyl-N-phenylacetamide
CID 102935696
2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclopentan-1-ol
CID 102936505
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-1,5-diazocane
CID 66408448
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal
CID 102936299
[4-(3-amino-2-methyl-3-phenylpropyl)-6-methylmorpholin-2-yl]methanol
CID 102936336

Frequently Asked Questions

What is the IUPAC name of [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol (CID 102935829) is [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol is CC1CN(CC2Cc3ccccc32)CC(CO)O1.
What is the InChIKey of [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is ITFBDSJLXHJCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-7-16(9-14(10-17)18-11)8-13-6-12-4-2-3-5-15(12)13/h2-5,11,13-14,17H,6-10H2,1H3.
What are the key properties of [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol?
[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 247.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).