5-phenyl-2H-acenaphthylen-1-one

C18H12O — CID 86088693

IUPAC5-phenyl-2H-acenaphthylen-1-one
SMILESO=C1Cc2ccc(-c3ccccc3)c3cccc1c23
InChIInChI=1S/C18H12O/c19-17-11-13-9-10-14(12-5-2-1-3-6-12)15-7-4-8-16(17)18(13)15/h1-10H,11H2
InChIKeyPFIZGXPZUQXXOF-UHFFFAOYSA-N
MW244.29 g/mol
LogP4.25
Rot. Bonds1

About 5-phenyl-2H-acenaphthylen-1-one

5-phenyl-2H-acenaphthylen-1-one (PubChem CID 86088693) has the molecular formula C18H12O and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-phenyl-2H-acenaphthylen-1-one.

Molecular Properties

Compound Name5-phenyl-2H-acenaphthylen-1-one
PubChem CID86088693
Molecular FormulaC18H12O
Molecular Weight244.29 g/mol
Exact Mass244.09
IUPAC Name5-phenyl-2H-acenaphthylen-1-one
SMILESO=C1Cc2ccc(-c3ccccc3)c3cccc1c23
InChIInChI=1S/C18H12O/c19-17-11-13-9-10-14(12-5-2-1-3-6-12)15-7-4-8-16(17)18(13)15/h1-10H,11H2
InChIKeyPFIZGXPZUQXXOF-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2H-acenaphthylen-1-one?
The IUPAC name of 5-phenyl-2H-acenaphthylen-1-one (CID 86088693) is 5-phenyl-2H-acenaphthylen-1-one.
What is the SMILES notation for 5-phenyl-2H-acenaphthylen-1-one?
The canonical SMILES for 5-phenyl-2H-acenaphthylen-1-one is O=C1Cc2ccc(-c3ccccc3)c3cccc1c23.
What is the InChIKey of 5-phenyl-2H-acenaphthylen-1-one?
The InChIKey is PFIZGXPZUQXXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O/c19-17-11-13-9-10-14(12-5-2-1-3-6-12)15-7-4-8-16(17)18(13)15/h1-10H,11H2.
What are the key properties of 5-phenyl-2H-acenaphthylen-1-one?
5-phenyl-2H-acenaphthylen-1-one has a molecular weight of 244.29 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2H-acenaphthylen-1-one is sourced from PubChem (CID 86088693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).