(4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone

C10H7BrO2S — CID 131043283

IUPAC(4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone
SMILESCc1cocc1C(=O)c1cc(Br)cs1
InChIInChI=1S/C10H7BrO2S/c1-6-3-13-4-8(6)10(12)9-2-7(11)5-14-9/h2-5H,1H3
InChIKeyXRXWQOYIPLOLCV-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.64
Rot. Bonds2

About (4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone

(4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone (PubChem CID 131043283) has the molecular formula C10H7BrO2S and a molecular weight of 271.13 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone
PubChem CID131043283
Molecular FormulaC10H7BrO2S
Molecular Weight271.13 g/mol
Exact Mass269.94
IUPAC Name(4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone
SMILESCc1cocc1C(=O)c1cc(Br)cs1
InChIInChI=1S/C10H7BrO2S/c1-6-3-13-4-8(6)10(12)9-2-7(11)5-14-9/h2-5H,1H3
InChIKeyXRXWQOYIPLOLCV-UHFFFAOYSA-N
XLogP3.64
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
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argon;methyl 4-bromothiophene-2-carboxylate
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(4-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
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CID 107355101
4-bromo-2-prop-1-en-2-ylthiophene
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(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone
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(4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone
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azepan-1-yl-(4-bromothiophen-2-yl)methanone
CID 2225278
4-bromo-N-cyclopropylthiophene-2-carboxamide
CID 110763428
[4-(4-bromothiophene-2-carbonyl)-1,2,5-oxadiazol-3-yl]-(5-bromothiophen-2-yl)methanone
CID 90293584

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone?
The IUPAC name of (4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone (CID 131043283) is (4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone is Cc1cocc1C(=O)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone?
The InChIKey is XRXWQOYIPLOLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2S/c1-6-3-13-4-8(6)10(12)9-2-7(11)5-14-9/h2-5H,1H3.
What are the key properties of (4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone?
(4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone has a molecular weight of 271.13 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone is sourced from PubChem (CID 131043283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).