2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone

C16H15Br2NO3 — CID 1013700

IUPAC2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2cc(Br)ccc2c1Br)N1CCOCC1
InChIInChI=1S/C16H15Br2NO3/c17-12-2-3-13-11(9-12)1-4-14(16(13)18)22-10-15(20)19-5-7-21-8-6-19/h1-4,9H,5-8,10H2
InChIKeyKBMBASSIYHYYFE-UHFFFAOYSA-N
MW429.11 g/mol
LogP3.60
Rot. Bonds3

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

2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone (PubChem CID 1013700) has the molecular formula C16H15Br2NO3 and a molecular weight of 429.11 g/mol. Its IUPAC name is 2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
PubChem CID1013700
Molecular FormulaC16H15Br2NO3
Molecular Weight429.11 g/mol
Exact Mass426.94
IUPAC Name2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2cc(Br)ccc2c1Br)N1CCOCC1
InChIInChI=1S/C16H15Br2NO3/c17-12-2-3-13-11(9-12)1-4-14(16(13)18)22-10-15(20)19-5-7-21-8-6-19/h1-4,9H,5-8,10H2
InChIKeyKBMBASSIYHYYFE-UHFFFAOYSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.11
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone (CID 1013700) is 2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone is O=C(COc1ccc2cc(Br)ccc2c1Br)N1CCOCC1.
What is the InChIKey of 2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
The InChIKey is KBMBASSIYHYYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO3/c17-12-2-3-13-11(9-12)1-4-14(16(13)18)22-10-15(20)19-5-7-21-8-6-19/h1-4,9H,5-8,10H2.
What are the key properties of 2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone has a molecular weight of 429.11 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dibromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 1013700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).