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

C19H14BrFOS — CID 123965479

IUPAC(4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone
SMILESCc1cc(C(=O)c2ccc(-c3ccc(F)cc3)s2)c(C)cc1Br
InChIInChI=1S/C19H14BrFOS/c1-11-10-16(20)12(2)9-15(11)19(22)18-8-7-17(23-18)13-3-5-14(21)6-4-13/h3-10H,1-2H3
InChIKeyQKTMJYLTRZJTFT-UHFFFAOYSA-N
MW389.29 g/mol
LogP6.16
Rot. Bonds3

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

(4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone (PubChem CID 123965479) has the molecular formula C19H14BrFOS and a molecular weight of 389.29 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone
PubChem CID123965479
Molecular FormulaC19H14BrFOS
Molecular Weight389.29 g/mol
Exact Mass387.99
IUPAC Name(4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone
SMILESCc1cc(C(=O)c2ccc(-c3ccc(F)cc3)s2)c(C)cc1Br
InChIInChI=1S/C19H14BrFOS/c1-11-10-16(20)12(2)9-15(11)19(22)18-8-7-17(23-18)13-3-5-14(21)6-4-13/h3-10H,1-2H3
InChIKeyQKTMJYLTRZJTFT-UHFFFAOYSA-N
XLogP6.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium
CID 152894435
[5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone
CID 78358353
5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide
CID 37214158
[5-(4-fluorophenyl)thiophen-2-yl]-[2-methyl-5-[(6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]phenyl]methanone
CID 145275343
N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide
CID 156879941
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960045
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 81473906
1-[5-(3-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 104780316
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762871
(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
CID 79020160
1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone
CID 79050472

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
The IUPAC name of (4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone (CID 123965479) is (4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone.
What is the SMILES notation for (4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
The canonical SMILES for (4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone is Cc1cc(C(=O)c2ccc(-c3ccc(F)cc3)s2)c(C)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
The InChIKey is QKTMJYLTRZJTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFOS/c1-11-10-16(20)12(2)9-15(11)19(22)18-8-7-17(23-18)13-3-5-14(21)6-4-13/h3-10H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
(4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone has a molecular weight of 389.29 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 123965479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).