1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone

C16H14Br2O2S — CID 63566702

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone
SMILESO=C(COc1ccc2c(c1)CCCC2)c1cc(Br)sc1Br
InChIInChI=1S/C16H14Br2O2S/c17-15-8-13(16(18)21-15)14(19)9-20-12-6-5-10-3-1-2-4-11(10)7-12/h5-8H,1-4,9H2
InChIKeyOFFQFIYXTBSPQO-UHFFFAOYSA-N
MW430.16 g/mol
LogP5.41
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone

1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone (PubChem CID 63566702) has the molecular formula C16H14Br2O2S and a molecular weight of 430.16 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone
PubChem CID63566702
Molecular FormulaC16H14Br2O2S
Molecular Weight430.16 g/mol
Exact Mass427.91
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone
SMILESO=C(COc1ccc2c(c1)CCCC2)c1cc(Br)sc1Br
InChIInChI=1S/C16H14Br2O2S/c17-15-8-13(16(18)21-15)14(19)9-20-12-6-5-10-3-1-2-4-11(10)7-12/h5-8H,1-4,9H2
InChIKeyOFFQFIYXTBSPQO-UHFFFAOYSA-N
XLogP5.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.16
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone
CID 43220054
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,5-dimethylphenyl)ethanone
CID 43411830
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
CID 9108866
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
6-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 62033839
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-2-yl)ethanone
CID 43411851
2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 2953479
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43411823
1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43220137

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone (CID 63566702) is 1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone is O=C(COc1ccc2c(c1)CCCC2)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone?
The InChIKey is OFFQFIYXTBSPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2S/c17-15-8-13(16(18)21-15)14(19)9-20-12-6-5-10-3-1-2-4-11(10)7-12/h5-8H,1-4,9H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone has a molecular weight of 430.16 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone is sourced from PubChem (CID 63566702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).