2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene

C17H18OS — CID 79403843

IUPAC2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
SMILESCc1cccc(OCC2Cc3ccccc3S2)c1C
InChIInChI=1S/C17H18OS/c1-12-6-5-8-16(13(12)2)18-11-15-10-14-7-3-4-9-17(14)19-15/h3-9,15H,10-11H2,1-2H3
InChIKeyISDKIJOWIPQCEO-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.40
Rot. Bonds3

About 2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene

2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene (PubChem CID 79403843) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
PubChem CID79403843
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
SMILESCc1cccc(OCC2Cc3ccccc3S2)c1C
InChIInChI=1S/C17H18OS/c1-12-6-5-8-16(13(12)2)18-11-15-10-14-7-3-4-9-17(14)19-15/h3-9,15H,10-11H2,1-2H3
InChIKeyISDKIJOWIPQCEO-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-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

(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
CID 79222447
2-chloro-6-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde
CID 79222737
2-[(4-chloro-2,6-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403994
[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol
CID 79222757
8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 79228546
2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79228154
1-[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79213878
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenol
CID 79221844
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 107691791
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
CID 102948382

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene?
The IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene (CID 79403843) is 2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene is Cc1cccc(OCC2Cc3ccccc3S2)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene?
The InChIKey is ISDKIJOWIPQCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-12-6-5-8-16(13(12)2)18-11-15-10-14-7-3-4-9-17(14)19-15/h3-9,15H,10-11H2,1-2H3.
What are the key properties of 2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene?
2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene has a molecular weight of 270.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 79403843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).