[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone

C19H19NO5 — CID 46156758

IUPAC[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOC(COc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H19NO5/c21-19(14-4-2-1-3-5-14)20-8-9-22-16(11-20)12-23-15-6-7-17-18(10-15)25-13-24-17/h1-7,10,16H,8-9,11-13H2
InChIKeyCFXSPVRCLLTLMT-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.34
Rot. Bonds4

About [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone

[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone (PubChem CID 46156758) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
PubChem CID46156758
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOC(COc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H19NO5/c21-19(14-4-2-1-3-5-14)20-8-9-22-16(11-20)12-23-15-6-7-17-18(10-15)25-13-24-17/h1-7,10,16H,8-9,11-13H2
InChIKeyCFXSPVRCLLTLMT-UHFFFAOYSA-N
XLogP2.34
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone
CID 4993456
1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
CID 3762309
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(6-bromo-2-pyridinyl)methanone
CID 3740897
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
CID 110643907
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-4-(4-chlorophenoxy)butan-1-one
CID 74229061
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone?
The IUPAC name of [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone (CID 46156758) is [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone?
The canonical SMILES for [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone is O=C(c1ccccc1)N1CCOC(COc2ccc3c(c2)OCO3)C1.
What is the InChIKey of [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone?
The InChIKey is CFXSPVRCLLTLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c21-19(14-4-2-1-3-5-14)20-8-9-22-16(11-20)12-23-15-6-7-17-18(10-15)25-13-24-17/h1-7,10,16H,8-9,11-13H2.
What are the key properties of [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone?
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone has a molecular weight of 341.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 46156758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).