1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one

C14H14OS — CID 59179659

IUPAC1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
SMILESCc1ccsc1C(=O)CCc1ccccc1
InChIInChI=1S/C14H14OS/c1-11-9-10-16-14(11)13(15)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyMDFAKZDMBHEBDD-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.87
Rot. Bonds4

About 1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one

1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one (PubChem CID 59179659) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
PubChem CID59179659
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
SMILESCc1ccsc1C(=O)CCc1ccccc1
InChIInChI=1S/C14H14OS/c1-11-9-10-16-14(11)13(15)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyMDFAKZDMBHEBDD-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one
CID 114962833
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
1-(3-methylthiophen-2-yl)heptan-1-one
CID 114752163
1-(3-chlorothiophen-2-yl)-4-phenylbutan-1-one
CID 114969877
7-[2-(3-phenylpropanoyl)thiophen-3-yl]heptanoic acid
CID 15666625
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-methylthiophene-2-carboxylate
CID 46619711
2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethanone
CID 79992159
1-(5-methylthiophen-3-yl)-3-phenylpropan-1-one
CID 58514679
3-methyl-N-phenylmethoxythiophene-2-carboxamide
CID 30796107
[2-(benzylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3266695
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
5-amino-1-(3-methylthiophen-2-yl)hexan-1-one
CID 116610071

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one (CID 59179659) is 1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one is Cc1ccsc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one?
The InChIKey is MDFAKZDMBHEBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-11-9-10-16-14(11)13(15)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one?
1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one has a molecular weight of 230.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 59179659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).