ethane;1-(4-thiophen-3-ylphenyl)ethanone

C16H22OS — CID 143391114

IUPACethane;1-(4-thiophen-3-ylphenyl)ethanone
SMILESCC.CC.CC(=O)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C12H10OS.2C2H6/c1-9(13)10-2-4-11(5-3-10)12-6-7-14-8-12;2*1-2/h2-8H,1H3;2*1-2H3
InChIKeySFRYDOLZXOAHER-UHFFFAOYSA-N
MW262.42 g/mol
LogP5.67
Rot. Bonds2

About ethane;1-(4-thiophen-3-ylphenyl)ethanone

ethane;1-(4-thiophen-3-ylphenyl)ethanone (PubChem CID 143391114) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is ethane;1-(4-thiophen-3-ylphenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-thiophen-3-ylphenyl)ethanone
PubChem CID143391114
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Nameethane;1-(4-thiophen-3-ylphenyl)ethanone
SMILESCC.CC.CC(=O)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C12H10OS.2C2H6/c1-9(13)10-2-4-11(5-3-10)12-6-7-14-8-12;2*1-2/h2-8H,1H3;2*1-2H3
InChIKeySFRYDOLZXOAHER-UHFFFAOYSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
4-thiophen-3-ylphenol
CID 4130342
1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone
CID 107360534
1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397
N-butyl-4-thiophen-3-ylbenzamide
CID 155529683
N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide
CID 142682988
1-(4-acetylphenyl)ethanone;methane
CID 159515104
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
N-cyclopentyl-4-thiophen-3-ylbenzamide
CID 20974787
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-thiophen-3-ylphenyl)ethanone?
The IUPAC name of ethane;1-(4-thiophen-3-ylphenyl)ethanone (CID 143391114) is ethane;1-(4-thiophen-3-ylphenyl)ethanone.
What is the SMILES notation for ethane;1-(4-thiophen-3-ylphenyl)ethanone?
The canonical SMILES for ethane;1-(4-thiophen-3-ylphenyl)ethanone is CC.CC.CC(=O)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of ethane;1-(4-thiophen-3-ylphenyl)ethanone?
The InChIKey is SFRYDOLZXOAHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS.2C2H6/c1-9(13)10-2-4-11(5-3-10)12-6-7-14-8-12;2*1-2/h2-8H,1H3;2*1-2H3.
What are the key properties of ethane;1-(4-thiophen-3-ylphenyl)ethanone?
ethane;1-(4-thiophen-3-ylphenyl)ethanone has a molecular weight of 262.42 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-thiophen-3-ylphenyl)ethanone is sourced from PubChem (CID 143391114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).