3-[2-(3,3-diphenylpropoxy)ethyl]thiophene

C21H22OS — CID 101402124

IUPAC3-[2-(3,3-diphenylpropoxy)ethyl]thiophene
SMILESc1ccc(C(CCOCCc2ccsc2)c2ccccc2)cc1
InChIInChI=1S/C21H22OS/c1-3-7-19(8-4-1)21(20-9-5-2-6-10-20)12-15-22-14-11-18-13-16-23-17-18/h1-10,13,16-17,21H,11-12,14-15H2
InChIKeyMSTLDIIOAIXQDP-UHFFFAOYSA-N
MW322.47 g/mol
LogP5.53
Rot. Bonds8

About 3-[2-(3,3-diphenylpropoxy)ethyl]thiophene

3-[2-(3,3-diphenylpropoxy)ethyl]thiophene (PubChem CID 101402124) has the molecular formula C21H22OS and a molecular weight of 322.47 g/mol. Its IUPAC name is 3-[2-(3,3-diphenylpropoxy)ethyl]thiophene.

Molecular Properties

Compound Name3-[2-(3,3-diphenylpropoxy)ethyl]thiophene
PubChem CID101402124
Molecular FormulaC21H22OS
Molecular Weight322.47 g/mol
Exact Mass322.14
IUPAC Name3-[2-(3,3-diphenylpropoxy)ethyl]thiophene
SMILESc1ccc(C(CCOCCc2ccsc2)c2ccccc2)cc1
InChIInChI=1S/C21H22OS/c1-3-7-19(8-4-1)21(20-9-5-2-6-10-20)12-15-22-14-11-18-13-16-23-17-18/h1-10,13,16-17,21H,11-12,14-15H2
InChIKeyMSTLDIIOAIXQDP-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.47
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
[(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium
CID 102299625
3-(2-ethenoxyethyl)thiophene
CID 70162385
2-[3-(2-thiophen-3-ylethoxy)propanoylamino]prop-2-enoic acid
CID 101213474
2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
CID 154143220
N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine
CID 115856961
(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol
CID 78956541
3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene
CID 64763301
3-(3-bromo-2-phenylpropyl)thiophene
CID 66040659
2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid
CID 64561326
2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole
CID 86079669
3-[2-(2-ethylphenoxy)ethyl]thiophene
CID 64764009

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-diphenylpropoxy)ethyl]thiophene?
The IUPAC name of 3-[2-(3,3-diphenylpropoxy)ethyl]thiophene (CID 101402124) is 3-[2-(3,3-diphenylpropoxy)ethyl]thiophene.
What is the SMILES notation for 3-[2-(3,3-diphenylpropoxy)ethyl]thiophene?
The canonical SMILES for 3-[2-(3,3-diphenylpropoxy)ethyl]thiophene is c1ccc(C(CCOCCc2ccsc2)c2ccccc2)cc1.
What is the InChIKey of 3-[2-(3,3-diphenylpropoxy)ethyl]thiophene?
The InChIKey is MSTLDIIOAIXQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22OS/c1-3-7-19(8-4-1)21(20-9-5-2-6-10-20)12-15-22-14-11-18-13-16-23-17-18/h1-10,13,16-17,21H,11-12,14-15H2.
What are the key properties of 3-[2-(3,3-diphenylpropoxy)ethyl]thiophene?
3-[2-(3,3-diphenylpropoxy)ethyl]thiophene has a molecular weight of 322.47 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-diphenylpropoxy)ethyl]thiophene is sourced from PubChem (CID 101402124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).