1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone

C18H13BrO2 — CID 43413547

IUPAC1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)c1cccc(Br)c1
InChIInChI=1S/C18H13BrO2/c19-16-7-3-6-15(10-16)18(20)12-21-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2
InChIKeyRMQKGPZDZDULLT-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.86
Rot. Bonds4

About 1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone

1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone (PubChem CID 43413547) has the molecular formula C18H13BrO2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone
PubChem CID43413547
Molecular FormulaC18H13BrO2
Molecular Weight341.20 g/mol
Exact Mass340.01
IUPAC Name1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)c1cccc(Br)c1
InChIInChI=1S/C18H13BrO2/c19-16-7-3-6-15(10-16)18(20)12-21-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2
InChIKeyRMQKGPZDZDULLT-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

4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide
CID 7931631
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CID 43412138
3-[2-(3-bromophenyl)-2-oxoethoxy]benzonitrile
CID 60624033
1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 22123529
[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23856812
1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595
2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
CID 4213919
2-(3-aminophenoxy)-1-naphthalen-2-ylethanone
CID 46307596
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
[2-(3-bromophenyl)-2-oxoethyl] carbamate
CID 67555042
2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
CID 7809726
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone (CID 43413547) is 1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone?
The InChIKey is RMQKGPZDZDULLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO2/c19-16-7-3-6-15(10-16)18(20)12-21-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2.
What are the key properties of 1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone?
1-(3-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-(3-bromophenyl)-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 43413547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).