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

C18H12BrFOS — CID 46930433

IUPAC(5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone
SMILESCc1ccc(Br)cc1C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H12BrFOS/c1-11-2-5-13(19)10-15(11)18(21)17-9-8-16(22-17)12-3-6-14(20)7-4-12/h2-10H,1H3
InChIKeyDSNLQVKYUASMTN-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.86
Rot. Bonds3

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

(5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone (PubChem CID 46930433) has the molecular formula C18H12BrFOS and a molecular weight of 375.26 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone
PubChem CID46930433
Molecular FormulaC18H12BrFOS
Molecular Weight375.26 g/mol
Exact Mass373.98
IUPAC Name(5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone
SMILESCc1ccc(Br)cc1C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H12BrFOS/c1-11-2-5-13(19)10-15(11)18(21)17-9-8-16(22-17)12-3-6-14(20)7-4-12/h2-10H,1H3
InChIKeyDSNLQVKYUASMTN-UHFFFAOYSA-N
XLogP5.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone (CID 46930433) is (5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone is Cc1ccc(Br)cc1C(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of (5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
The InChIKey is DSNLQVKYUASMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFOS/c1-11-2-5-13(19)10-15(11)18(21)17-9-8-16(22-17)12-3-6-14(20)7-4-12/h2-10H,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
(5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone has a molecular weight of 375.26 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 46930433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).