2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone

C14H13BrO2S — CID 113330338

IUPAC2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C14H13BrO2S/c1-2-17-13-6-4-3-5-11(13)12(16)9-10-7-8-14(15)18-10/h3-8H,2,9H2,1H3
InChIKeySJFHRRAFZGEHCK-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.33
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone

2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone (PubChem CID 113330338) has the molecular formula C14H13BrO2S and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone
PubChem CID113330338
Molecular FormulaC14H13BrO2S
Molecular Weight325.23 g/mol
Exact Mass323.98
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C14H13BrO2S/c1-2-17-13-6-4-3-5-11(13)12(16)9-10-7-8-14(15)18-10/h3-8H,2,9H2,1H3
InChIKeySJFHRRAFZGEHCK-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(3,4-diethoxyphenyl)ethanone
CID 114967422
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101557
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114967385
N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide
CID 32776552
2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone
CID 116595884
2-ethoxybenzoyl bromide
CID 19426336
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone (CID 113330338) is 2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone?
The InChIKey is SJFHRRAFZGEHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2S/c1-2-17-13-6-4-3-5-11(13)12(16)9-10-7-8-14(15)18-10/h3-8H,2,9H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone?
2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone has a molecular weight of 325.23 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 113330338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).