1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one

C13H10Br2OS — CID 62621721

IUPAC1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
SMILESO=C(Cc1cccc(Br)c1)Cc1cc(Br)cs1
InChIInChI=1S/C13H10Br2OS/c14-10-3-1-2-9(4-10)5-12(16)7-13-6-11(15)8-17-13/h1-4,6,8H,5,7H2
InChIKeyMSNFBCUGHDDIGI-UHFFFAOYSA-N
MW374.10 g/mol
LogP4.63
Rot. Bonds4

About 1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one

1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one (PubChem CID 62621721) has the molecular formula C13H10Br2OS and a molecular weight of 374.10 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
PubChem CID62621721
Molecular FormulaC13H10Br2OS
Molecular Weight374.10 g/mol
Exact Mass371.88
IUPAC Name1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
SMILESO=C(Cc1cccc(Br)c1)Cc1cc(Br)cs1
InChIInChI=1S/C13H10Br2OS/c14-10-3-1-2-9(4-10)5-12(16)7-13-6-11(15)8-17-13/h1-4,6,8H,5,7H2
InChIKeyMSNFBCUGHDDIGI-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.10
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one
CID 62622471
1-(4-bromothiophen-2-yl)-3-pyridin-3-ylpropan-2-one
CID 62621207
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one
CID 105092415
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
2-(3-bromophenyl)acetate
CID 3608673
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
CID 63409310
1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one
CID 63409309
bromo 2-(3-bromophenyl)acetate
CID 174910278
3-(3-bromophenyl)-2-oxopropane-1-sulfonic acid
CID 115053028
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
CID 62620804
2-(3-bromophenyl)acetamide
CID 11736027
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039318

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one (CID 62621721) is 1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one is O=C(Cc1cccc(Br)c1)Cc1cc(Br)cs1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one?
The InChIKey is MSNFBCUGHDDIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2OS/c14-10-3-1-2-9(4-10)5-12(16)7-13-6-11(15)8-17-13/h1-4,6,8H,5,7H2.
What are the key properties of 1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one?
1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one has a molecular weight of 374.10 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one is sourced from PubChem (CID 62621721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).