2-[1-(3-bromophenyl)propyl]-4-ethylthiophene

C15H17BrS — CID 70892561

IUPAC2-[1-(3-bromophenyl)propyl]-4-ethylthiophene
SMILESCCc1csc(C(CC)c2cccc(Br)c2)c1
InChIInChI=1S/C15H17BrS/c1-3-11-8-15(17-10-11)14(4-2)12-6-5-7-13(16)9-12/h5-10,14H,3-4H2,1-2H3
InChIKeyOHCNWVBNMWBVAA-UHFFFAOYSA-N
MW309.27 g/mol
LogP5.61
Rot. Bonds4

About 2-[1-(3-bromophenyl)propyl]-4-ethylthiophene

2-[1-(3-bromophenyl)propyl]-4-ethylthiophene (PubChem CID 70892561) has the molecular formula C15H17BrS and a molecular weight of 309.27 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)propyl]-4-ethylthiophene.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)propyl]-4-ethylthiophene
PubChem CID70892561
Molecular FormulaC15H17BrS
Molecular Weight309.27 g/mol
Exact Mass308.02
IUPAC Name2-[1-(3-bromophenyl)propyl]-4-ethylthiophene
SMILESCCc1csc(C(CC)c2cccc(Br)c2)c1
InChIInChI=1S/C15H17BrS/c1-3-11-8-15(17-10-11)14(4-2)12-6-5-7-13(16)9-12/h5-10,14H,3-4H2,1-2H3
InChIKeyOHCNWVBNMWBVAA-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.27
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-ethylthiophen-2-yl)-phenylmethanol
CID 121226309
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1-bromo-3-ethylbenzene;methane
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1-bromo-3-(2-bromo-1-phenylethyl)benzene
CID 151109917
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole
CID 58951733
4-bromo-2-pentan-3-ylthiophene
CID 82390181
N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43673198
2-[(3-bromophenyl)-chloromethyl]-5-ethylthiophene
CID 63431228
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
2-(3-bromophenyl)-2-phenylethanol
CID 118542656

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)propyl]-4-ethylthiophene?
The IUPAC name of 2-[1-(3-bromophenyl)propyl]-4-ethylthiophene (CID 70892561) is 2-[1-(3-bromophenyl)propyl]-4-ethylthiophene.
What is the SMILES notation for 2-[1-(3-bromophenyl)propyl]-4-ethylthiophene?
The canonical SMILES for 2-[1-(3-bromophenyl)propyl]-4-ethylthiophene is CCc1csc(C(CC)c2cccc(Br)c2)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)propyl]-4-ethylthiophene?
The InChIKey is OHCNWVBNMWBVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrS/c1-3-11-8-15(17-10-11)14(4-2)12-6-5-7-13(16)9-12/h5-10,14H,3-4H2,1-2H3.
What are the key properties of 2-[1-(3-bromophenyl)propyl]-4-ethylthiophene?
2-[1-(3-bromophenyl)propyl]-4-ethylthiophene has a molecular weight of 309.27 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)propyl]-4-ethylthiophene is sourced from PubChem (CID 70892561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).