(2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone

C15H12O3S2 — CID 114971200

IUPAC(2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCOc1ccc(C(=O)c2cc3sccc3s2)c(OC)c1
InChIInChI=1S/C15H12O3S2/c1-17-9-3-4-10(11(7-9)18-2)15(16)14-8-13-12(20-14)5-6-19-13/h3-8H,1-2H3
InChIKeyPCEIOFRJYFVCTG-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.21
Rot. Bonds4

About (2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone

(2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 114971200) has the molecular formula C15H12O3S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID114971200
Molecular FormulaC15H12O3S2
Molecular Weight304.39 g/mol
Exact Mass304.02
IUPAC Name(2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCOc1ccc(C(=O)c2cc3sccc3s2)c(OC)c1
InChIInChI=1S/C15H12O3S2/c1-17-9-3-4-10(11(7-9)18-2)15(16)14-8-13-12(20-14)5-6-19-13/h3-8H,1-2H3
InChIKeyPCEIOFRJYFVCTG-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 114971223
(2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 103435076
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoate
CID 6947027
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502361
(2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone
CID 82133581
(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
CID 106690992
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744719
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 81045877

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of (2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone (CID 114971200) is (2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone is COc1ccc(C(=O)c2cc3sccc3s2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is PCEIOFRJYFVCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3S2/c1-17-9-3-4-10(11(7-9)18-2)15(16)14-8-13-12(20-14)5-6-19-13/h3-8H,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
(2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 114971200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).