2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene

C20H16O2S2 — CID 22996753

IUPAC2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
SMILESCOc1ccc(-c2cccs2)c2c(OC)ccc(-c3cccs3)c12
InChIInChI=1S/C20H16O2S2/c1-21-15-9-7-14(18-6-4-12-24-18)20-16(22-2)10-8-13(19(15)20)17-5-3-11-23-17/h3-12H,1-2H3
InChIKeyPARLVPLAHFZLGI-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.31
Rot. Bonds4

About 2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene

2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene (PubChem CID 22996753) has the molecular formula C20H16O2S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene.

Molecular Properties

Compound Name2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
PubChem CID22996753
Molecular FormulaC20H16O2S2
Molecular Weight352.48 g/mol
Exact Mass352.06
IUPAC Name2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
SMILESCOc1ccc(-c2cccs2)c2c(OC)ccc(-c3cccs3)c12
InChIInChI=1S/C20H16O2S2/c1-21-15-9-7-14(18-6-4-12-24-18)20-16(22-2)10-8-13(19(15)20)17-5-3-11-23-17/h3-12H,1-2H3
InChIKeyPARLVPLAHFZLGI-UHFFFAOYSA-N
XLogP6.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)thiophene
CID 22723462
bis(3-methoxy-4-thiophen-2-ylphenyl)diazene
CID 134812992
2-(5-ethyl-2-methoxyphenyl)thiophene
CID 20651347
3-methoxy-2-thiophen-2-ylthiophene
CID 18353954
2-methoxy-5-methyl-4-thiophen-2-ylaniline
CID 90752833
1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone
CID 58615706
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-(4-ethoxy-2,3-difluorophenyl)thiophene
CID 143775731
4-methoxy-5-thiophen-2-ylpyrimidine
CID 173254670
(2-dimethylphosphanyl-3-methoxy-4-thiophen-2-ylphenyl)-dimethylphosphane
CID 175960662
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
2-(3-fluoro-2-methoxyphenyl)thiophene
CID 91195833

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene?
The IUPAC name of 2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene (CID 22996753) is 2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene.
What is the SMILES notation for 2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene?
The canonical SMILES for 2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene is COc1ccc(-c2cccs2)c2c(OC)ccc(-c3cccs3)c12.
What is the InChIKey of 2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene?
The InChIKey is PARLVPLAHFZLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2S2/c1-21-15-9-7-14(18-6-4-12-24-18)20-16(22-2)10-8-13(19(15)20)17-5-3-11-23-17/h3-12H,1-2H3.
What are the key properties of 2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene?
2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene has a molecular weight of 352.48 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene is sourced from PubChem (CID 22996753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).