2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone

C17H19NO4 — CID 4769726

IUPAC2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2ccccc2c1CO)N1CCOCC1
InChIInChI=1S/C17H19NO4/c19-11-15-14-4-2-1-3-13(14)5-6-16(15)22-12-17(20)18-7-9-21-10-8-18/h1-6,19H,7-12H2
InChIKeyJCLZEFZPPPLGNI-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.57
Rot. Bonds4

About 2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone

2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone (PubChem CID 4769726) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
PubChem CID4769726
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2ccccc2c1CO)N1CCOCC1
InChIInChI=1S/C17H19NO4/c19-11-15-14-4-2-1-3-13(14)5-6-16(15)22-12-17(20)18-7-9-21-10-8-18/h1-6,19H,7-12H2
InChIKeyJCLZEFZPPPLGNI-UHFFFAOYSA-N
XLogP1.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 43505486
1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone
CID 172662682
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
1-(azepan-1-yl)-2-(1-bromonaphthalen-2-yl)oxyethanone
CID 1010742
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
4-[[2-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3940706
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057

Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone (CID 4769726) is 2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone is O=C(COc1ccc2ccccc2c1CO)N1CCOCC1.
What is the InChIKey of 2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone?
The InChIKey is JCLZEFZPPPLGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-11-15-14-4-2-1-3-13(14)5-6-16(15)22-12-17(20)18-7-9-21-10-8-18/h1-6,19H,7-12H2.
What are the key properties of 2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone?
2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone has a molecular weight of 301.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 4769726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).