(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone

C14H13BrOS — CID 102831155

IUPAC(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccsc2C)cc(C)c1Br
InChIInChI=1S/C14H13BrOS/c1-8-6-11(7-9(2)13(8)15)14(16)12-4-5-17-10(12)3/h4-7H,1-3H3
InChIKeyNUBFDNKLLKQFBQ-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.67
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone

(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone (PubChem CID 102831155) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
PubChem CID102831155
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccsc2C)cc(C)c1Br
InChIInChI=1S/C14H13BrOS/c1-8-6-11(7-9(2)13(8)15)14(16)12-4-5-17-10(12)3/h4-7H,1-3H3
InChIKeyNUBFDNKLLKQFBQ-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840024
bis(2-methylthiophen-3-yl)methanone
CID 101441488
(3-bromophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830603
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(2-methylthiophen-3-yl)-pyridazin-4-ylmethanone
CID 102840057
(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839866
[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone
CID 102839616
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
CID 102830803
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114329543
(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone
CID 114329651
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone (CID 102831155) is (4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccsc2C)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is NUBFDNKLLKQFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-8-6-11(7-9(2)13(8)15)14(16)12-4-5-17-10(12)3/h4-7H,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone?
(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone has a molecular weight of 309.23 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102831155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).