(5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone

C15H14Br2OS — CID 114023494

IUPAC(5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2cc(Br)cc(Br)c2)s1
InChIInChI=1S/C15H14Br2OS/c1-15(2,3)13-5-4-12(19-13)14(18)9-6-10(16)8-11(17)7-9/h4-8H,1-3H3
InChIKeyBMSCFVBEDYZBKE-UHFFFAOYSA-N
MW402.15 g/mol
LogP5.80
Rot. Bonds2

About (5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone

(5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone (PubChem CID 114023494) has the molecular formula C15H14Br2OS and a molecular weight of 402.15 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone
PubChem CID114023494
Molecular FormulaC15H14Br2OS
Molecular Weight402.15 g/mol
Exact Mass399.91
IUPAC Name(5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2cc(Br)cc(Br)c2)s1
InChIInChI=1S/C15H14Br2OS/c1-15(2,3)13-5-4-12(19-13)14(18)9-6-10(16)8-11(17)7-9/h4-8H,1-3H3
InChIKeyBMSCFVBEDYZBKE-UHFFFAOYSA-N
XLogP5.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.15
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone
CID 114024414
1-(5-tert-butylthiophen-2-yl)-3-methylpentan-1-one
CID 114874097
diethyl 2-(5-benzoylthiophen-2-yl)-2-methylpropanedioate
CID 11824542
methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
CID 82884625
methyl 2-[5-(3-bromo-5-chlorobenzoyl)thiophen-2-yl]acetate
CID 107950021
(5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66258191
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107979582
(5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone
CID 107979661
(5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 59599798
5-[2-(5-carboxythiophen-2-yl)propan-2-yl]thiophene-2-carboxylic acid
CID 6611542
1-(5-tert-butylthiophen-2-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 144689379
3-(5-bromothiophene-2-carbonyl)benzoic acid
CID 91881878

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone?
The IUPAC name of (5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone (CID 114023494) is (5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone is CC(C)(C)c1ccc(C(=O)c2cc(Br)cc(Br)c2)s1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone?
The InChIKey is BMSCFVBEDYZBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2OS/c1-15(2,3)13-5-4-12(19-13)14(18)9-6-10(16)8-11(17)7-9/h4-8H,1-3H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone?
(5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone has a molecular weight of 402.15 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone is sourced from PubChem (CID 114023494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).