(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C15H12Br2OS — CID 107126449

IUPAC(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)C1CCc2ccccc2C1
InChIInChI=1S/C15H12Br2OS/c16-12-8-13(19-15(12)17)14(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2
InChIKeyWRLRTSPFSDXWJD-UHFFFAOYSA-N
MW400.14 g/mol
LogP5.26
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 107126449) has the molecular formula C15H12Br2OS and a molecular weight of 400.14 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID107126449
Molecular FormulaC15H12Br2OS
Molecular Weight400.14 g/mol
Exact Mass397.90
IUPAC Name(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)C1CCc2ccccc2C1
InChIInChI=1S/C15H12Br2OS/c16-12-8-13(19-15(12)17)14(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2
InChIKeyWRLRTSPFSDXWJD-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.14
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 80532830
(2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126854
(2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126828
(4,5-dibromothiophen-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 78967348
3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone
CID 80532576
(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408772
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone
CID 107126876
(2,4-dimethyl-1,3-thiazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 114033974
N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107620504
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160
1-(4,5-dibromothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 114964210

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 107126449) is (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is O=C(c1cc(Br)c(Br)s1)C1CCc2ccccc2C1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is WRLRTSPFSDXWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2OS/c16-12-8-13(19-15(12)17)14(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 400.14 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 107126449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).