2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene

C19H19FOS — CID 58242527

IUPAC2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene
SMILESCc1ccc(C)c(Cc2cc3ccc(OCCF)cc3s2)c1
InChIInChI=1S/C19H19FOS/c1-13-3-4-14(2)16(9-13)11-18-10-15-5-6-17(21-8-7-20)12-19(15)22-18/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyDDEWSNBOAPEGEN-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.46
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene

2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene (PubChem CID 58242527) has the molecular formula C19H19FOS and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene
PubChem CID58242527
Molecular FormulaC19H19FOS
Molecular Weight314.43 g/mol
Exact Mass314.11
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene
SMILESCc1ccc(C)c(Cc2cc3ccc(OCCF)cc3s2)c1
InChIInChI=1S/C19H19FOS/c1-13-3-4-14(2)16(9-13)11-18-10-15-5-6-17(21-8-7-20)12-19(15)22-18/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyDDEWSNBOAPEGEN-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-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

6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene
CID 850941
4-[(4-Methoxyphenyl)methoxy]benzo[f][1]benzothiole
CID 16099012
Pinacol 5-phenoxymethylbenzo[b]thiophen-2-ylboronate
CID 23655483
ISUPSL-CHO-2-188b
CID 24792630
4-methoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophene
CID 25131859
2-(4-Fluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol
CID 127042633
2-(3,4-Difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol
CID 127042930
3-(4-Methoxyphenyl)-1-benzothiophene
CID 3358921
5-Methoxy-3-[4-(methoxymethyl)phenyl]-2-(3-methoxyphenyl)-1-benzothiophene
CID 44142478
4-Phenylmethoxybenzo[f][1]benzothiole
CID 16099001
4-[2-(4-Methoxyphenyl)ethoxy]benzo[f][1]benzothiole
CID 16099014
ISUPSL-CHO-2-188a
CID 24792629

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene (CID 58242527) is 2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene is Cc1ccc(C)c(Cc2cc3ccc(OCCF)cc3s2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene?
The InChIKey is DDEWSNBOAPEGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FOS/c1-13-3-4-14(2)16(9-13)11-18-10-15-5-6-17(21-8-7-20)12-19(15)22-18/h3-6,9-10,12H,7-8,11H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene?
2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene has a molecular weight of 314.43 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-6-(2-fluoroethoxy)-1-benzothiophene is sourced from PubChem (CID 58242527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).