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

C16H16BrNO3 — CID 1010736

IUPAC2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2ccccc2c1Br)N1CCOCC1
InChIInChI=1S/C16H16BrNO3/c17-16-13-4-2-1-3-12(13)5-6-14(16)21-11-15(19)18-7-9-20-10-8-18/h1-6H,7-11H2
InChIKeySDBAPUKSRFYWLK-UHFFFAOYSA-N
MW350.21 g/mol
LogP2.84
Rot. Bonds3

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

2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone (PubChem CID 1010736) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
PubChem CID1010736
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2ccccc2c1Br)N1CCOCC1
InChIInChI=1S/C16H16BrNO3/c17-16-13-4-2-1-3-12(13)5-6-14(16)21-11-15(19)18-7-9-20-10-8-18/h1-6H,7-11H2
InChIKeySDBAPUKSRFYWLK-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone (CID 1010736) is 2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone is O=C(COc1ccc2ccccc2c1Br)N1CCOCC1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
The InChIKey is SDBAPUKSRFYWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c17-16-13-4-2-1-3-12(13)5-6-14(16)21-11-15(19)18-7-9-20-10-8-18/h1-6H,7-11H2.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone?
2-(1-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-(1-bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 1010736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).