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

C16H14O2S2 — CID 103435076

IUPAC(2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCOc1c(C(=O)c2cc3sccc3s2)ccc(C)c1C
InChIInChI=1S/C16H14O2S2/c1-9-4-5-11(16(18-3)10(9)2)15(17)14-8-13-12(20-14)6-7-19-13/h4-8H,1-3H3
InChIKeyBVOIWSGYSNFEHM-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.82
Rot. Bonds3

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

(2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 103435076) has the molecular formula C16H14O2S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name(2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID103435076
Molecular FormulaC16H14O2S2
Molecular Weight302.42 g/mol
Exact Mass302.04
IUPAC Name(2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCOc1c(C(=O)c2cc3sccc3s2)ccc(C)c1C
InChIInChI=1S/C16H14O2S2/c1-9-4-5-11(16(18-3)10(9)2)15(17)14-8-13-12(20-14)6-7-19-13/h4-8H,1-3H3
InChIKeyBVOIWSGYSNFEHM-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 114971200
(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434981
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 81045877
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
(4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434759
2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745092
(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 115791579
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 106971859
2-methyl-4-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722535
2-methyl-5-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723700
2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733581
2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103433037

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of (2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone (CID 103435076) is (2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for (2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for (2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone is COc1c(C(=O)c2cc3sccc3s2)ccc(C)c1C.
What is the InChIKey of (2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is BVOIWSGYSNFEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S2/c1-9-4-5-11(16(18-3)10(9)2)15(17)14-8-13-12(20-14)6-7-19-13/h4-8H,1-3H3.
What are the key properties of (2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
(2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 103435076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).