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

C14H13BrO2S — CID 62622471

IUPAC1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2cc(Br)cs2)c1
InChIInChI=1S/C14H13BrO2S/c1-17-13-4-2-3-10(6-13)5-12(16)8-14-7-11(15)9-18-14/h2-4,6-7,9H,5,8H2,1H3
InChIKeyVYIZURIBVKCAKS-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.87
Rot. Bonds5

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

1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one (PubChem CID 62622471) has the molecular formula C14H13BrO2S and a molecular weight of 325.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one
PubChem CID62622471
Molecular FormulaC14H13BrO2S
Molecular Weight325.23 g/mol
Exact Mass323.98
IUPAC Name1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2cc(Br)cs2)c1
InChIInChI=1S/C14H13BrO2S/c1-17-13-4-2-3-10(6-13)5-12(16)8-14-7-11(15)9-18-14/h2-4,6-7,9H,5,8H2,1H3
InChIKeyVYIZURIBVKCAKS-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
CID 62621721
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(4-bromothiophen-2-yl)-3-pyridin-3-ylpropan-2-one
CID 62621207
N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 18190050
1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine
CID 62602168
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 55083986
5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
CID 106677432
1-(3-methoxyphenyl)hex-4-yn-2-one
CID 62311381
1-(3-methoxyphenyl)heptan-2-one
CID 61056670

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one (CID 62622471) is 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)Cc2cc(Br)cs2)c1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one?
The InChIKey is VYIZURIBVKCAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2S/c1-17-13-4-2-3-10(6-13)5-12(16)8-14-7-11(15)9-18-14/h2-4,6-7,9H,5,8H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one?
1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one has a molecular weight of 325.23 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 62622471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).