2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone

C16H16BrNO3 — CID 2455427

IUPAC2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2cc(Br)ccc2c1)N1CCOCC1
InChIInChI=1S/C16H16BrNO3/c17-14-3-1-13-10-15(4-2-12(13)9-14)21-11-16(19)18-5-7-20-8-6-18/h1-4,9-10H,5-8,11H2
InChIKeyKTAJZHKCPHVGOA-UHFFFAOYSA-N
MW350.21 g/mol
LogP2.84
Rot. Bonds3

About 2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone

2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone (PubChem CID 2455427) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
PubChem CID2455427
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2cc(Br)ccc2c1)N1CCOCC1
InChIInChI=1S/C16H16BrNO3/c17-14-3-1-13-10-15(4-2-12(13)9-14)21-11-16(19)18-5-7-20-8-6-18/h1-4,9-10H,5-8,11H2
InChIKeyKTAJZHKCPHVGOA-UHFFFAOYSA-N
XLogP2.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone (CID 2455427) is 2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone is O=C(COc1ccc2cc(Br)ccc2c1)N1CCOCC1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
The InChIKey is KTAJZHKCPHVGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c17-14-3-1-13-10-15(4-2-12(13)9-14)21-11-16(19)18-5-7-20-8-6-18/h1-4,9-10H,5-8,11H2.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone has a molecular weight of 350.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 2455427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).