7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one

C25H24O — CID 59052981

IUPAC7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(-c3c(C4CCCCC4)ccc4ccccc34)c21
InChIInChI=1S/C25H24O/c26-23-16-14-19-10-6-12-22(24(19)23)25-20-11-5-4-9-18(20)13-15-21(25)17-7-2-1-3-8-17/h4-6,9-13,15,17H,1-3,7-8,14,16H2
InChIKeyNYBUHTMXOUAJST-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.68
Rot. Bonds2

About 7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one

7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one (PubChem CID 59052981) has the molecular formula C25H24O and a molecular weight of 340.47 g/mol. Its IUPAC name is 7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one
PubChem CID59052981
Molecular FormulaC25H24O
Molecular Weight340.47 g/mol
Exact Mass340.18
IUPAC Name7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(-c3c(C4CCCCC4)ccc4ccccc34)c21
InChIInChI=1S/C25H24O/c26-23-16-14-19-10-6-12-22(24(19)23)25-20-11-5-4-9-18(20)13-15-21(25)17-7-2-1-3-8-17/h4-6,9-13,15,17H,1-3,7-8,14,16H2
InChIKeyNYBUHTMXOUAJST-UHFFFAOYSA-N
XLogP6.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 6719
Benzanthrone
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CID 7122
Acenaphthenequinone
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1-Acenaphthenone
CID 75229
Dibenzo(b,def)chrysene-7,14-dione
CID 31412
Benz(a)anthracene-7,12-dione
CID 17253
2-(4-Methyl-3-pentenyl)anthraquinone
CID 317256
1,4-Phenanthrenequinone
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Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione
CID 8317
Methanone, 9H-fluoren-2-ylphenyl-
CID 97070
5,12-Naphthacenedione
CID 14160

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one (CID 59052981) is 7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one is O=C1CCc2cccc(-c3c(C4CCCCC4)ccc4ccccc34)c21.
What is the InChIKey of 7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one?
The InChIKey is NYBUHTMXOUAJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O/c26-23-16-14-19-10-6-12-22(24(19)23)25-20-11-5-4-9-18(20)13-15-21(25)17-7-2-1-3-8-17/h4-6,9-13,15,17H,1-3,7-8,14,16H2.
What are the key properties of 7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one?
7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one has a molecular weight of 340.47 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 59052981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).