1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone

C18H13BrO2 — CID 22123529

IUPAC1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)c1ccccc1Br
InChIInChI=1S/C18H13BrO2/c19-17-8-4-3-7-16(17)18(20)12-21-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2
InChIKeyZOWPTIOZGYAQQF-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.86
Rot. Bonds4

About 1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone

1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone (PubChem CID 22123529) has the molecular formula C18H13BrO2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone
PubChem CID22123529
Molecular FormulaC18H13BrO2
Molecular Weight341.20 g/mol
Exact Mass340.01
IUPAC Name1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)c1ccccc1Br
InChIInChI=1S/C18H13BrO2/c19-17-8-4-3-7-16(17)18(20)12-21-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2
InChIKeyZOWPTIOZGYAQQF-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 43413547
1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612917
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
1-(2-bromophenyl)-2-(4-nitrophenoxy)ethanone
CID 60625570
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-naphthalen-2-yloxy-1-thiophen-2-ylethanone
CID 43413543
2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone
CID 83140397
2-bromoethyl 2-naphthalen-2-yloxyacetate
CID 22163309
1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone
CID 106644772
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412397
1-(2-bromophenyl)-2-ethoxyethanone
CID 43799585

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone (CID 22123529) is 1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone?
The InChIKey is ZOWPTIOZGYAQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO2/c19-17-8-4-3-7-16(17)18(20)12-21-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2.
What are the key properties of 1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone?
1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone has a molecular weight of 341.20 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 22123529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).