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

C19H15BrOS — CID 177421349

IUPAC[4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Br)c(-c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C19H15BrOS/c1-12-3-7-14(8-4-12)18(21)17-11-16(20)19(22-17)15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKeyIJIYGIPNBCYZDW-UHFFFAOYSA-N
MW371.30 g/mol
LogP6.03
Rot. Bonds3

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

[4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone (PubChem CID 177421349) has the molecular formula C19H15BrOS and a molecular weight of 371.30 g/mol. Its IUPAC name is [4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone
PubChem CID177421349
Molecular FormulaC19H15BrOS
Molecular Weight371.30 g/mol
Exact Mass370.00
IUPAC Name[4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Br)c(-c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C19H15BrOS/c1-12-3-7-14(8-4-12)18(21)17-11-16(20)19(22-17)15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKeyIJIYGIPNBCYZDW-UHFFFAOYSA-N
XLogP6.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.30
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
CID 79982080
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
(4-bromo-5-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102826619
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520
(4,5-dibromothiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 80532450
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
CID 43463038
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
CID 80536800
(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 102826674
(4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837635
(4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone
CID 132519427
(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 130770138
(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone
CID 102826743

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone (CID 177421349) is [4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(Br)c(-c3ccc(C)cc3)s2)cc1.
What is the InChIKey of [4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone?
The InChIKey is IJIYGIPNBCYZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrOS/c1-12-3-7-14(8-4-12)18(21)17-11-16(20)19(22-17)15-9-5-13(2)6-10-15/h3-11H,1-2H3.
What are the key properties of [4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone?
[4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone has a molecular weight of 371.30 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 177421349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).