4-phenyl-1-thiophen-2-ylbutan-2-one

C14H14OS — CID 61054077

IUPAC4-phenyl-1-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C14H14OS/c15-13(11-14-7-4-10-16-14)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2
InChIKeyUQLWSKBLFCMIQH-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.49
Rot. Bonds5

About 4-phenyl-1-thiophen-2-ylbutan-2-one

4-phenyl-1-thiophen-2-ylbutan-2-one (PubChem CID 61054077) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-phenyl-1-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name4-phenyl-1-thiophen-2-ylbutan-2-one
PubChem CID61054077
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name4-phenyl-1-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C14H14OS/c15-13(11-14-7-4-10-16-14)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2
InChIKeyUQLWSKBLFCMIQH-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,5-trifluoro-1-thiophen-2-ylpentan-2-one
CID 64565094
1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one
CID 116549524
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride
CID 19830109
1-(3,5-difluorophenyl)-4-thiophen-2-ylbutan-2-one
CID 55236513
1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one
CID 105101445
1-thiophen-2-ylpentane-2,4-dione
CID 154402079
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62502351
2-phenylethyl 4-thiophen-2-ylbutanoate
CID 78830677
4-propan-2-yloxy-1-thiophen-2-ylbutan-2-one
CID 115001827
1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65142383
1-thiophen-2-ylhexane-2,4-dione
CID 86201838

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-thiophen-2-ylbutan-2-one?
The IUPAC name of 4-phenyl-1-thiophen-2-ylbutan-2-one (CID 61054077) is 4-phenyl-1-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 4-phenyl-1-thiophen-2-ylbutan-2-one?
The canonical SMILES for 4-phenyl-1-thiophen-2-ylbutan-2-one is O=C(CCc1ccccc1)Cc1cccs1.
What is the InChIKey of 4-phenyl-1-thiophen-2-ylbutan-2-one?
The InChIKey is UQLWSKBLFCMIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c15-13(11-14-7-4-10-16-14)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2.
What are the key properties of 4-phenyl-1-thiophen-2-ylbutan-2-one?
4-phenyl-1-thiophen-2-ylbutan-2-one has a molecular weight of 230.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 61054077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).