2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene

C22H20O2S3 — CID 135169401

IUPAC2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene
SMILESc1csc(CCc2cc(OCc3cccs3)cc(OCc3cccs3)c2)c1
InChIInChI=1S/C22H20O2S3/c1-4-20(25-9-1)8-7-17-12-18(23-15-21-5-2-10-26-21)14-19(13-17)24-16-22-6-3-11-27-22/h1-6,9-14H,7-8,15-16H2
InChIKeyVFYMMLZINFGZJW-UHFFFAOYSA-N
MW412.60 g/mol
LogP6.81
Rot. Bonds9

About 2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene

2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene (PubChem CID 135169401) has the molecular formula C22H20O2S3 and a molecular weight of 412.60 g/mol. Its IUPAC name is 2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene.

Molecular Properties

Compound Name2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene
PubChem CID135169401
Molecular FormulaC22H20O2S3
Molecular Weight412.60 g/mol
Exact Mass412.06
IUPAC Name2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene
SMILESc1csc(CCc2cc(OCc3cccs3)cc(OCc3cccs3)c2)c1
InChIInChI=1S/C22H20O2S3/c1-4-20(25-9-1)8-7-17-12-18(23-15-21-5-2-10-26-21)14-19(13-17)24-16-22-6-3-11-27-22/h1-6,9-14H,7-8,15-16H2
InChIKeyVFYMMLZINFGZJW-UHFFFAOYSA-N
XLogP6.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
3-(thiophen-2-ylmethoxy)phenol
CID 43143563
3-methyl-5-(thiophen-2-ylmethoxy)phenol
CID 107680166
3-propoxy-5-(thiophen-2-ylmethoxy)aniline
CID 80747853
3-fluoro-5-(thiophen-2-ylmethoxy)aniline
CID 80751724
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827460
7-(thiophen-2-ylmethoxy)naphthalen-2-ol
CID 43326496
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
[4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
CID 62321392
4-(thiophen-2-ylmethoxy)-1,2-thiazole
CID 54266344
N-methyl-4-(thiophen-2-ylmethoxy)aniline
CID 61027856

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene?
The IUPAC name of 2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene (CID 135169401) is 2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene.
What is the SMILES notation for 2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene?
The canonical SMILES for 2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene is c1csc(CCc2cc(OCc3cccs3)cc(OCc3cccs3)c2)c1.
What is the InChIKey of 2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene?
The InChIKey is VFYMMLZINFGZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2S3/c1-4-20(25-9-1)8-7-17-12-18(23-15-21-5-2-10-26-21)14-19(13-17)24-16-22-6-3-11-27-22/h1-6,9-14H,7-8,15-16H2.
What are the key properties of 2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene?
2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene has a molecular weight of 412.60 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene is sourced from PubChem (CID 135169401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).