(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone

C11H7BrO2S — CID 82093989

IUPAC(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(Br)s1
InChIInChI=1S/C11H7BrO2S/c12-10-6-5-9(15-10)11(14)7-1-3-8(13)4-2-7/h1-6,13H
InChIKeyBMQLFQGAOLNLRI-UHFFFAOYSA-N
MW283.15 g/mol
LogP3.45
Rot. Bonds2

About (5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone

(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone (PubChem CID 82093989) has the molecular formula C11H7BrO2S and a molecular weight of 283.15 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone
PubChem CID82093989
Molecular FormulaC11H7BrO2S
Molecular Weight283.15 g/mol
Exact Mass281.94
IUPAC Name(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(Br)s1
InChIInChI=1S/C11H7BrO2S/c12-10-6-5-9(15-10)11(14)7-1-3-8(13)4-2-7/h1-6,13H
InChIKeyBMQLFQGAOLNLRI-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone
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(5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
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[4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
CID 84611700
3-(5-bromothiophene-2-carbonyl)benzoic acid
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(5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 60629640
(5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone
CID 131162385
(5-bromothiophen-2-yl)-(3-methylphenyl)methanone
CID 61101862
5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 28739338
(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
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(5-bromothiophen-2-yl)-(3-methoxy-4-methylphenyl)methanone
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5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 54913160

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone (CID 82093989) is (5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is BMQLFQGAOLNLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2S/c12-10-6-5-9(15-10)11(14)7-1-3-8(13)4-2-7/h1-6,13H.
What are the key properties of (5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone?
(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 283.15 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 82093989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).