3-(1-ethoxyethyl)-2-propyl-1-benzothiophene

C15H20OS — CID 101433467

IUPAC3-(1-ethoxyethyl)-2-propyl-1-benzothiophene
SMILESCCCc1sc2ccccc2c1C(C)OCC
InChIInChI=1S/C15H20OS/c1-4-8-14-15(11(3)16-5-2)12-9-6-7-10-13(12)17-14/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyPBEWSGQUEUHNQT-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.95
Rot. Bonds5

About 3-(1-ethoxyethyl)-2-propyl-1-benzothiophene

3-(1-ethoxyethyl)-2-propyl-1-benzothiophene (PubChem CID 101433467) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-2-propyl-1-benzothiophene.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-2-propyl-1-benzothiophene
PubChem CID101433467
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name3-(1-ethoxyethyl)-2-propyl-1-benzothiophene
SMILESCCCc1sc2ccccc2c1C(C)OCC
InChIInChI=1S/C15H20OS/c1-4-8-14-15(11(3)16-5-2)12-9-6-7-10-13(12)17-14/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyPBEWSGQUEUHNQT-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(1-ethoxyethyl)-2-propyl-1-benzothiophene 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

N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013
diethyl 2-(2-prop-2-enyl-1-benzothiophen-3-yl)propanedioate
CID 14975071
2,3-dipropylthiochromen-4-one
CID 101499421
N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
CID 25265810
N-[[3-(propoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62451509
butan-2-yloxy-[(3-propan-2-yl-1-benzothiophen-2-yl)methyl]phosphinic acid
CID 87146796
3-propyl-1-benzothiophen-2-ol
CID 69483518
N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
CID 158595025
4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine
CID 116987449
[3-(1,1,1-trifluoropropan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 66274453
ethyl 2-hydroxy-2-(2-phenyl-1-benzothiophen-3-yl)acetate
CID 70813709
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-methylpentan-2-amine
CID 63453706

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-2-propyl-1-benzothiophene?
The IUPAC name of 3-(1-ethoxyethyl)-2-propyl-1-benzothiophene (CID 101433467) is 3-(1-ethoxyethyl)-2-propyl-1-benzothiophene.
What is the SMILES notation for 3-(1-ethoxyethyl)-2-propyl-1-benzothiophene?
The canonical SMILES for 3-(1-ethoxyethyl)-2-propyl-1-benzothiophene is CCCc1sc2ccccc2c1C(C)OCC.
What is the InChIKey of 3-(1-ethoxyethyl)-2-propyl-1-benzothiophene?
The InChIKey is PBEWSGQUEUHNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-4-8-14-15(11(3)16-5-2)12-9-6-7-10-13(12)17-14/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 3-(1-ethoxyethyl)-2-propyl-1-benzothiophene?
3-(1-ethoxyethyl)-2-propyl-1-benzothiophene has a molecular weight of 248.39 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-2-propyl-1-benzothiophene is sourced from PubChem (CID 101433467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).