5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one

C25H22O — CID 76809562

IUPAC5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one
SMILESO=C(C=Cc1ccc2ccccc2c1)CCC1C=c2ccccc2=CC1
InChIInChI=1S/C25H22O/c26-25(15-11-19-9-13-21-5-1-3-7-23(21)17-19)16-12-20-10-14-22-6-2-4-8-24(22)18-20/h1-9,11,13-15,17-18,20H,10,12,16H2
InChIKeyIEDJTOKMHUBEHF-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.48
Rot. Bonds5

About 5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one

5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one (PubChem CID 76809562) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one.

Molecular Properties

Compound Name5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one
PubChem CID76809562
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one
SMILESO=C(C=Cc1ccc2ccccc2c1)CCC1C=c2ccccc2=CC1
InChIInChI=1S/C25H22O/c26-25(15-11-19-9-13-21-5-1-3-7-23(21)17-19)16-12-20-10-14-22-6-2-4-8-24(22)18-20/h1-9,11,13-15,17-18,20H,10,12,16H2
InChIKeyIEDJTOKMHUBEHF-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one?
The IUPAC name of 5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one (CID 76809562) is 5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one.
What is the SMILES notation for 5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one?
The canonical SMILES for 5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one is O=C(C=Cc1ccc2ccccc2c1)CCC1C=c2ccccc2=CC1.
What is the InChIKey of 5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one?
The InChIKey is IEDJTOKMHUBEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O/c26-25(15-11-19-9-13-21-5-1-3-7-23(21)17-19)16-12-20-10-14-22-6-2-4-8-24(22)18-20/h1-9,11,13-15,17-18,20H,10,12,16H2.
What are the key properties of 5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one?
5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one has a molecular weight of 338.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydronaphthalen-2-yl)-1-naphthalen-2-ylpent-1-en-3-one is sourced from PubChem (CID 76809562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).