1,4-dinaphthalen-2-ylbutane-1,4-dione

C24H18O2 — CID 593323

IUPAC1,4-dinaphthalen-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H18O2/c25-23(21-11-9-17-5-1-3-7-19(17)15-21)13-14-24(26)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16H,13-14H2
InChIKeyCPKCEHISBAJKEC-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.84
Rot. Bonds5

About 1,4-dinaphthalen-2-ylbutane-1,4-dione

1,4-dinaphthalen-2-ylbutane-1,4-dione (PubChem CID 593323) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1,4-dinaphthalen-2-ylbutane-1,4-dione.

Molecular Properties

Compound Name1,4-dinaphthalen-2-ylbutane-1,4-dione
PubChem CID593323
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name1,4-dinaphthalen-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H18O2/c25-23(21-11-9-17-5-1-3-7-19(17)15-21)13-14-24(26)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16H,13-14H2
InChIKeyCPKCEHISBAJKEC-UHFFFAOYSA-N
XLogP5.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142086733
8-hydroxy-1-naphthalen-2-yloctan-1-one
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CID 9076388
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide
CID 8866306
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
CID 87197273
CID 87197273

Frequently Asked Questions

What is the IUPAC name of 1,4-dinaphthalen-2-ylbutane-1,4-dione?
The IUPAC name of 1,4-dinaphthalen-2-ylbutane-1,4-dione (CID 593323) is 1,4-dinaphthalen-2-ylbutane-1,4-dione.
What is the SMILES notation for 1,4-dinaphthalen-2-ylbutane-1,4-dione?
The canonical SMILES for 1,4-dinaphthalen-2-ylbutane-1,4-dione is O=C(CCC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 1,4-dinaphthalen-2-ylbutane-1,4-dione?
The InChIKey is CPKCEHISBAJKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c25-23(21-11-9-17-5-1-3-7-19(17)15-21)13-14-24(26)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16H,13-14H2.
What are the key properties of 1,4-dinaphthalen-2-ylbutane-1,4-dione?
1,4-dinaphthalen-2-ylbutane-1,4-dione has a molecular weight of 338.41 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dinaphthalen-2-ylbutane-1,4-dione is sourced from PubChem (CID 593323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).