4-(4-phenylphenyl)butan-2-one

C16H16O — CID 3044029

IUPAC4-(4-phenylphenyl)butan-2-one
SMILESCC(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3
InChIKeyNVIAWOHXGFMHCC-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.88
Rot. Bonds4

About 4-(4-phenylphenyl)butan-2-one

4-(4-phenylphenyl)butan-2-one (PubChem CID 3044029) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(4-phenylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(4-phenylphenyl)butan-2-one
PubChem CID3044029
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name4-(4-phenylphenyl)butan-2-one
SMILESCC(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3
InChIKeyNVIAWOHXGFMHCC-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)butan-2-one?
The IUPAC name of 4-(4-phenylphenyl)butan-2-one (CID 3044029) is 4-(4-phenylphenyl)butan-2-one.
What is the SMILES notation for 4-(4-phenylphenyl)butan-2-one?
The canonical SMILES for 4-(4-phenylphenyl)butan-2-one is CC(=O)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)butan-2-one?
The InChIKey is NVIAWOHXGFMHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3.
What are the key properties of 4-(4-phenylphenyl)butan-2-one?
4-(4-phenylphenyl)butan-2-one has a molecular weight of 224.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)butan-2-one is sourced from PubChem (CID 3044029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).