1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone

C20H16O2 — CID 58315812

IUPAC1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(C)=O)c3ccccc23)cc1
InChIInChI=1S/C20H16O2/c1-13(21)15-7-9-16(10-8-15)18-12-11-17(14(2)22)19-5-3-4-6-20(18)19/h3-12H,1-2H3
InChIKeyUHFAWZWIROQCON-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.91
Rot. Bonds3

About 1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone

1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone (PubChem CID 58315812) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone
PubChem CID58315812
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(C)=O)c3ccccc23)cc1
InChIInChI=1S/C20H16O2/c1-13(21)15-7-9-16(10-8-15)18-12-11-17(14(2)22)19-5-3-4-6-20(18)19/h3-12H,1-2H3
InChIKeyUHFAWZWIROQCON-UHFFFAOYSA-N
XLogP4.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone (CID 58315812) is 1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(C(C)=O)c3ccccc23)cc1.
What is the InChIKey of 1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone?
The InChIKey is UHFAWZWIROQCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-13(21)15-7-9-16(10-8-15)18-12-11-17(14(2)22)19-5-3-4-6-20(18)19/h3-12H,1-2H3.
What are the key properties of 1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone?
1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone has a molecular weight of 288.35 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone is sourced from PubChem (CID 58315812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).