3-(6-bromonaphthalen-2-yl)oxybutan-2-one

C14H13BrO2 — CID 60624745

IUPAC3-(6-bromonaphthalen-2-yl)oxybutan-2-one
SMILESCC(=O)C(C)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrO2/c1-9(16)10(2)17-14-6-4-11-7-13(15)5-3-12(11)8-14/h3-8,10H,1-2H3
InChIKeyJOBTWRYFJLMZKQ-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.96
Rot. Bonds3

About 3-(6-bromonaphthalen-2-yl)oxybutan-2-one

3-(6-bromonaphthalen-2-yl)oxybutan-2-one (PubChem CID 60624745) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxybutan-2-one.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxybutan-2-one
PubChem CID60624745
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name3-(6-bromonaphthalen-2-yl)oxybutan-2-one
SMILESCC(=O)C(C)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrO2/c1-9(16)10(2)17-14-6-4-11-7-13(15)5-3-12(11)8-14/h3-8,10H,1-2H3
InChIKeyJOBTWRYFJLMZKQ-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride
CID 10380881
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
CID 57054525
2-(6-bromonaphthalen-2-yl)oxy-N-propan-2-ylpropanamide
CID 60517133
3-[4-(4-bromophenyl)phenoxy]butan-2-one
CID 62033260
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxypropan-1-one
CID 78841438
(3R)-3-[4-[(2S)-3-oxobutan-2-yl]oxyphenoxy]butan-2-one
CID 1489408
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-(4-tert-butylphenyl)propan-1-one
CID 2099999
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7916276
2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
CID 18367588
3-(4-bromo-3-chlorophenoxy)butan-2-one
CID 130631255
(2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 7786780
(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide
CID 7786732

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxybutan-2-one?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxybutan-2-one (CID 60624745) is 3-(6-bromonaphthalen-2-yl)oxybutan-2-one.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxybutan-2-one?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxybutan-2-one is CC(=O)C(C)Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxybutan-2-one?
The InChIKey is JOBTWRYFJLMZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-9(16)10(2)17-14-6-4-11-7-13(15)5-3-12(11)8-14/h3-8,10H,1-2H3.
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxybutan-2-one?
3-(6-bromonaphthalen-2-yl)oxybutan-2-one has a molecular weight of 293.16 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)oxybutan-2-one is sourced from PubChem (CID 60624745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).