2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone

C16H10BrClO2S — CID 60623247

IUPAC2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COc1ccc2ccccc2c1Br)c1ccc(Cl)s1
InChIInChI=1S/C16H10BrClO2S/c17-16-11-4-2-1-3-10(11)5-6-13(16)20-9-12(19)14-7-8-15(18)21-14/h1-8H,9H2
InChIKeyGEFKFCZEFXOCMH-UHFFFAOYSA-N
MW381.68 g/mol
LogP5.58
Rot. Bonds4

About 2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone

2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 60623247) has the molecular formula C16H10BrClO2S and a molecular weight of 381.68 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID60623247
Molecular FormulaC16H10BrClO2S
Molecular Weight381.68 g/mol
Exact Mass379.93
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COc1ccc2ccccc2c1Br)c1ccc(Cl)s1
InChIInChI=1S/C16H10BrClO2S/c17-16-11-4-2-1-3-10(11)5-6-13(16)20-9-12(19)14-7-8-15(18)21-14/h1-8H,9H2
InChIKeyGEFKFCZEFXOCMH-UHFFFAOYSA-N
XLogP5.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.68
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 60624989
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413871
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 107725167
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 58522023
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide
CID 7269676
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541
1-(azepan-1-yl)-2-(1-bromonaphthalen-2-yl)oxyethanone
CID 1010742
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone (CID 60623247) is 2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone is O=C(COc1ccc2ccccc2c1Br)c1ccc(Cl)s1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is GEFKFCZEFXOCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClO2S/c17-16-11-4-2-1-3-10(11)5-6-13(16)20-9-12(19)14-7-8-15(18)21-14/h1-8H,9H2.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone?
2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 381.68 g/mol, XLogP of 5.58, 4 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-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 60623247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).