(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone

C14H12Br2OS — CID 80536800

IUPAC(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C14H12Br2OS/c1-2-3-9-4-6-10(7-5-9)13(17)12-8-11(15)14(16)18-12/h4-8H,2-3H2,1H3
InChIKeyUDKLMAZGUBJKOV-UHFFFAOYSA-N
MW388.12 g/mol
LogP5.46
Rot. Bonds4

About (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone

(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone (PubChem CID 80536800) has the molecular formula C14H12Br2OS and a molecular weight of 388.12 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
PubChem CID80536800
Molecular FormulaC14H12Br2OS
Molecular Weight388.12 g/mol
Exact Mass385.90
IUPAC Name(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C14H12Br2OS/c1-2-3-9-4-6-10(7-5-9)13(17)12-8-11(15)14(16)18-12/h4-8H,2-3H2,1H3
InChIKeyUDKLMAZGUBJKOV-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.12
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-2-yl)-(4-propylphenyl)methanone
CID 43462756
(4,5-dibromothiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 80532450
4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide
CID 18291485
1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 114963430
(3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone
CID 113398277
5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one
CID 80534198
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 80532389
4,5-dibromothiophene-2-carbonyl bromide
CID 15753564
4,5-dibromo-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 112725586
(4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 80733768
(6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone
CID 166522819
(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
CID 107949654

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone (CID 80536800) is (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone?
The InChIKey is UDKLMAZGUBJKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2OS/c1-2-3-9-4-6-10(7-5-9)13(17)12-8-11(15)14(16)18-12/h4-8H,2-3H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone?
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone has a molecular weight of 388.12 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone is sourced from PubChem (CID 80536800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).