1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone

C17H14O2S2 — CID 167296288

IUPAC1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2ccc(-c3ccc(C(C)=O)s3)s2)cc1
InChIInChI=1S/C17H14O2S2/c1-11(18)14-7-9-16(20-14)17-10-8-15(21-17)12-3-5-13(19-2)6-4-12/h3-10H,1-2H3
InChIKeyYUQSIIGLYHVQML-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.35
Rot. Bonds4

About 1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone

1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone (PubChem CID 167296288) has the molecular formula C17H14O2S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone
PubChem CID167296288
Molecular FormulaC17H14O2S2
Molecular Weight314.43 g/mol
Exact Mass314.04
IUPAC Name1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2ccc(-c3ccc(C(C)=O)s3)s2)cc1
InChIInChI=1S/C17H14O2S2/c1-11(18)14-7-9-16(20-14)17-10-8-15(21-17)12-3-5-13(19-2)6-4-12/h3-10H,1-2H3
InChIKeyYUQSIIGLYHVQML-UHFFFAOYSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 14639069
CID 14639069
CID 25023813
CID 25023813
CID 3007749
CID 3007749
CID 3509505
CID 3509505
CID 10667130
CID 10667130
CID 44543407
CID 44543407
CID 46850581
CID 46850581
CID 60168700
CID 60168700
CID 122652904
CID 122652904
CID 122652930
CID 122652930
CID 129781980
CID 129781980
CID 11831419
CID 11831419

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone (CID 167296288) is 1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone is COc1ccc(-c2ccc(-c3ccc(C(C)=O)s3)s2)cc1.
What is the InChIKey of 1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone?
The InChIKey is YUQSIIGLYHVQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S2/c1-11(18)14-7-9-16(20-14)17-10-8-15(21-17)12-3-5-13(19-2)6-4-12/h3-10H,1-2H3.
What are the key properties of 1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone?
1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone has a molecular weight of 314.43 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 167296288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).