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

C14H14O2S — CID 20523300

IUPAC1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one
SMILESCOc1ccsc1C(=O)CCc1ccccc1
InChIInChI=1S/C14H14O2S/c1-16-13-9-10-17-14(13)12(15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyIPZWKXNUJHIVKJ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.57
Rot. Bonds5

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

1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one (PubChem CID 20523300) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one
PubChem CID20523300
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one
SMILESCOc1ccsc1C(=O)CCc1ccccc1
InChIInChI=1S/C14H14O2S/c1-16-13-9-10-17-14(13)12(15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyIPZWKXNUJHIVKJ-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one (CID 20523300) is 1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one is COc1ccsc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one?
The InChIKey is IPZWKXNUJHIVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-16-13-9-10-17-14(13)12(15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one?
1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one has a molecular weight of 246.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 20523300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).