3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one

C19H16OS — CID 66633044

IUPAC3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one
SMILESO=C(CCc1ccccc1)c1sccc1-c1ccccc1
InChIInChI=1S/C19H16OS/c20-18(12-11-15-7-3-1-4-8-15)19-17(13-14-21-19)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKeyMGEHRPYCKYAMOO-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.23
Rot. Bonds5

About 3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one

3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one (PubChem CID 66633044) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one
PubChem CID66633044
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one
SMILESO=C(CCc1ccccc1)c1sccc1-c1ccccc1
InChIInChI=1S/C19H16OS/c20-18(12-11-15-7-3-1-4-8-15)19-17(13-14-21-19)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKeyMGEHRPYCKYAMOO-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one (CID 66633044) is 3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one is O=C(CCc1ccccc1)c1sccc1-c1ccccc1.
What is the InChIKey of 3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one?
The InChIKey is MGEHRPYCKYAMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c20-18(12-11-15-7-3-1-4-8-15)19-17(13-14-21-19)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2.
What are the key properties of 3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one?
3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one has a molecular weight of 292.40 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(3-phenylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 66633044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).