1-phenyl-3-(2-phenylphenyl)propan-1-one

C21H18O — CID 159880463

IUPAC1-phenyl-3-(2-phenylphenyl)propan-1-one
SMILESO=C(CCc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O/c22-21(19-12-5-2-6-13-19)16-15-18-11-7-8-14-20(18)17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKeyNTLNVYUFEOLHIX-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.17
Rot. Bonds5

About 1-phenyl-3-(2-phenylphenyl)propan-1-one

1-phenyl-3-(2-phenylphenyl)propan-1-one (PubChem CID 159880463) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-phenyl-3-(2-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(2-phenylphenyl)propan-1-one
PubChem CID159880463
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name1-phenyl-3-(2-phenylphenyl)propan-1-one
SMILESO=C(CCc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O/c22-21(19-12-5-2-6-13-19)16-15-18-11-7-8-14-20(18)17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKeyNTLNVYUFEOLHIX-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-phenylphenyl)propan-1-one?
The IUPAC name of 1-phenyl-3-(2-phenylphenyl)propan-1-one (CID 159880463) is 1-phenyl-3-(2-phenylphenyl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(2-phenylphenyl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(2-phenylphenyl)propan-1-one is O=C(CCc1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-phenylphenyl)propan-1-one?
The InChIKey is NTLNVYUFEOLHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c22-21(19-12-5-2-6-13-19)16-15-18-11-7-8-14-20(18)17-9-3-1-4-10-17/h1-14H,15-16H2.
What are the key properties of 1-phenyl-3-(2-phenylphenyl)propan-1-one?
1-phenyl-3-(2-phenylphenyl)propan-1-one has a molecular weight of 286.37 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-phenylphenyl)propan-1-one is sourced from PubChem (CID 159880463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).