[5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone

C15H13BrOS — CID 63400597

IUPAC[5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone
SMILESCc1ccc(-c2ccc(C(=O)C3CC3)s2)cc1Br
InChIInChI=1S/C15H13BrOS/c1-9-2-3-11(8-12(9)16)13-6-7-14(18-13)15(17)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3
InChIKeyLTRXFWQRDYHYMC-UHFFFAOYSA-N
MW321.24 g/mol
LogP5.08
Rot. Bonds3

About [5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone

[5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 63400597) has the molecular formula C15H13BrOS and a molecular weight of 321.24 g/mol. Its IUPAC name is [5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone
PubChem CID63400597
Molecular FormulaC15H13BrOS
Molecular Weight321.24 g/mol
Exact Mass319.99
IUPAC Name[5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone
SMILESCc1ccc(-c2ccc(C(=O)C3CC3)s2)cc1Br
InChIInChI=1S/C15H13BrOS/c1-9-2-3-11(8-12(9)16)13-6-7-14(18-13)15(17)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3
InChIKeyLTRXFWQRDYHYMC-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.24
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone
CID 81266983
cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone
CID 43154050
cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone
CID 107586193
[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
CID 43331776
cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
CID 43154038
(3-bromo-4-methylphenyl)-cyclopentylmethanone
CID 82122935
1-[5-(3-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 104780316
5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
CID 84720733
(4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone
CID 123965479
1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone
CID 107615063
(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
(4-bromo-5-methylthiophen-2-yl)-cycloheptylmethanone
CID 102826592

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone (CID 63400597) is [5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone is Cc1ccc(-c2ccc(C(=O)C3CC3)s2)cc1Br.
What is the InChIKey of [5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is LTRXFWQRDYHYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrOS/c1-9-2-3-11(8-12(9)16)13-6-7-14(18-13)15(17)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3.
What are the key properties of [5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone?
[5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 321.24 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 63400597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).