(2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone

C12H8Br2O2S — CID 43344972

IUPAC(2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C12H8Br2O2S/c1-16-8-4-2-3-7(5-8)11(15)9-6-10(13)17-12(9)14/h2-6H,1H3
InChIKeyIJZSLKQFWZJIIT-UHFFFAOYSA-N
MW376.07 g/mol
LogP4.51
Rot. Bonds3

About (2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone

(2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone (PubChem CID 43344972) has the molecular formula C12H8Br2O2S and a molecular weight of 376.07 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone
PubChem CID43344972
Molecular FormulaC12H8Br2O2S
Molecular Weight376.07 g/mol
Exact Mass373.86
IUPAC Name(2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C12H8Br2O2S/c1-16-8-4-2-3-7(5-8)11(15)9-6-10(13)17-12(9)14/h2-6H,1H3
InChIKeyIJZSLKQFWZJIIT-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.07
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromothiophen-3-yl)-(3-propoxyphenyl)methanone
CID 63491827
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone
CID 139998060
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734
(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
CID 24722787
(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
CID 43162092
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone (CID 43344972) is (2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cc(Br)sc2Br)c1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone?
The InChIKey is IJZSLKQFWZJIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2O2S/c1-16-8-4-2-3-7(5-8)11(15)9-6-10(13)17-12(9)14/h2-6H,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone?
(2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone has a molecular weight of 376.07 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 43344972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).