4-phenyl-3-thiophen-3-ylpentan-2-one

C15H16OS — CID 174672241

IUPAC4-phenyl-3-thiophen-3-ylpentan-2-one
SMILESCC(=O)C(c1ccsc1)C(C)c1ccccc1
InChIInChI=1S/C15H16OS/c1-11(13-6-4-3-5-7-13)15(12(2)16)14-8-9-17-10-14/h3-11,15H,1-2H3
InChIKeyWPZRBMBBGVVDSE-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.22
Rot. Bonds4

About 4-phenyl-3-thiophen-3-ylpentan-2-one

4-phenyl-3-thiophen-3-ylpentan-2-one (PubChem CID 174672241) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-phenyl-3-thiophen-3-ylpentan-2-one.

Molecular Properties

Compound Name4-phenyl-3-thiophen-3-ylpentan-2-one
PubChem CID174672241
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name4-phenyl-3-thiophen-3-ylpentan-2-one
SMILESCC(=O)C(c1ccsc1)C(C)c1ccccc1
InChIInChI=1S/C15H16OS/c1-11(13-6-4-3-5-7-13)15(12(2)16)14-8-9-17-10-14/h3-11,15H,1-2H3
InChIKeyWPZRBMBBGVVDSE-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-3-thiophen-3-ylpentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
(3R,4R)-3-methyl-4-phenylpentan-2-one
CID 13413213
(3S,4S)-3-methyl-4-phenylpentan-2-one
CID 13413211
(3R)-4-methyl-3-phenylpentan-2-one
CID 7018943
2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
2-sulfanyl-3-thiophen-3-ylbutanoic acid
CID 174552094
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
ethyl 3-benzoyl-4-oxo-4-phenyl-2-thiophen-3-ylbutanoate
CID 172994244
(2R)-2-bromo-2-thiophen-3-ylacetic acid
CID 124578230
2-acetyl-3-phenylbutanoic acid
CID 12561389
1-thiophen-3-ylethyl acetate
CID 59753762
3-amino-2,3-di(thiophen-3-yl)propanoic acid
CID 170871482

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-thiophen-3-ylpentan-2-one?
The IUPAC name of 4-phenyl-3-thiophen-3-ylpentan-2-one (CID 174672241) is 4-phenyl-3-thiophen-3-ylpentan-2-one.
What is the SMILES notation for 4-phenyl-3-thiophen-3-ylpentan-2-one?
The canonical SMILES for 4-phenyl-3-thiophen-3-ylpentan-2-one is CC(=O)C(c1ccsc1)C(C)c1ccccc1.
What is the InChIKey of 4-phenyl-3-thiophen-3-ylpentan-2-one?
The InChIKey is WPZRBMBBGVVDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11(13-6-4-3-5-7-13)15(12(2)16)14-8-9-17-10-14/h3-11,15H,1-2H3.
What are the key properties of 4-phenyl-3-thiophen-3-ylpentan-2-one?
4-phenyl-3-thiophen-3-ylpentan-2-one has a molecular weight of 244.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-thiophen-3-ylpentan-2-one is sourced from PubChem (CID 174672241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).