(5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone

C16H17BrOS — CID 66258191

IUPAC(5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H17BrOS/c1-4-16(2,3)12-7-5-11(6-8-12)15(18)13-9-10-14(17)19-13/h5-10H,4H2,1-3H3
InChIKeyUGGMGXHMJFZPPH-UHFFFAOYSA-N
MW337.28 g/mol
LogP5.43
Rot. Bonds4

About (5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone

(5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone (PubChem CID 66258191) has the molecular formula C16H17BrOS and a molecular weight of 337.28 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
PubChem CID66258191
Molecular FormulaC16H17BrOS
Molecular Weight337.28 g/mol
Exact Mass336.02
IUPAC Name(5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
SMILESCCC(C)(C)c1ccc(C(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H17BrOS/c1-4-16(2,3)12-7-5-11(6-8-12)15(18)13-9-10-14(17)19-13/h5-10H,4H2,1-3H3
InChIKeyUGGMGXHMJFZPPH-UHFFFAOYSA-N
XLogP5.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
CID 84611700
(5-bromothiophen-2-yl)-(4-propylphenyl)methanone
CID 43462756
(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone
CID 82093989
[3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
CID 84611702
(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone
CID 61102051
1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
CID 19870051
(5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 106683844
3-(5-bromothiophene-2-carbonyl)benzoic acid
CID 91881878
N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119642989
1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964423
(5-bromothiophen-2-yl)-(3-methylphenyl)methanone
CID 61101862
1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one
CID 126985911

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone (CID 66258191) is (5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone is CCC(C)(C)c1ccc(C(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
The InChIKey is UGGMGXHMJFZPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrOS/c1-4-16(2,3)12-7-5-11(6-8-12)15(18)13-9-10-14(17)19-13/h5-10H,4H2,1-3H3.
What are the key properties of (5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone?
(5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone has a molecular weight of 337.28 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone is sourced from PubChem (CID 66258191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).