1-phenyl-5-thiophen-3-ylpentan-1-one

C15H16OS — CID 64503847

IUPAC1-phenyl-5-thiophen-3-ylpentan-1-one
SMILESO=C(CCCCc1ccsc1)c1ccccc1
InChIInChI=1S/C15H16OS/c16-15(14-7-2-1-3-8-14)9-5-4-6-13-10-11-17-12-13/h1-3,7-8,10-12H,4-6,9H2
InChIKeyGERIVHFZUURJOZ-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.34
Rot. Bonds6

About 1-phenyl-5-thiophen-3-ylpentan-1-one

1-phenyl-5-thiophen-3-ylpentan-1-one (PubChem CID 64503847) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-phenyl-5-thiophen-3-ylpentan-1-one.

Molecular Properties

Compound Name1-phenyl-5-thiophen-3-ylpentan-1-one
PubChem CID64503847
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-phenyl-5-thiophen-3-ylpentan-1-one
SMILESO=C(CCCCc1ccsc1)c1ccccc1
InChIInChI=1S/C15H16OS/c16-15(14-7-2-1-3-8-14)9-5-4-6-13-10-11-17-12-13/h1-3,7-8,10-12H,4-6,9H2
InChIKeyGERIVHFZUURJOZ-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-thiophen-3-ylhexanoic acid
CID 24722734
5-thiophen-3-ylpentanamide
CID 11171370
1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
4-thiophen-3-ylbutanoate
CID 86324435
1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
CID 116577708
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
4-thiophen-3-ylbutan-1-ol
CID 54222621
1-(4-butoxyphenyl)-3-thiophen-3-ylpropan-1-one
CID 105099876
1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one
CID 155562244
3-(6-bromohexyl)thiophene
CID 11447992
12-hydroxy-1-phenyldodecan-1-one
CID 11482778

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-thiophen-3-ylpentan-1-one?
The IUPAC name of 1-phenyl-5-thiophen-3-ylpentan-1-one (CID 64503847) is 1-phenyl-5-thiophen-3-ylpentan-1-one.
What is the SMILES notation for 1-phenyl-5-thiophen-3-ylpentan-1-one?
The canonical SMILES for 1-phenyl-5-thiophen-3-ylpentan-1-one is O=C(CCCCc1ccsc1)c1ccccc1.
What is the InChIKey of 1-phenyl-5-thiophen-3-ylpentan-1-one?
The InChIKey is GERIVHFZUURJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c16-15(14-7-2-1-3-8-14)9-5-4-6-13-10-11-17-12-13/h1-3,7-8,10-12H,4-6,9H2.
What are the key properties of 1-phenyl-5-thiophen-3-ylpentan-1-one?
1-phenyl-5-thiophen-3-ylpentan-1-one has a molecular weight of 244.36 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-thiophen-3-ylpentan-1-one is sourced from PubChem (CID 64503847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).