dinaphthalen-2-ylmethanone

C21H14O — CID 10945915

IUPACdinaphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14O/c22-21(19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChIKeyVLEZVYXNVAHDOI-UHFFFAOYSA-N
MW282.34 g/mol
LogP5.22
Rot. Bonds2

About dinaphthalen-2-ylmethanone

dinaphthalen-2-ylmethanone (PubChem CID 10945915) has the molecular formula C21H14O and a molecular weight of 282.34 g/mol. Its IUPAC name is dinaphthalen-2-ylmethanone.

Molecular Properties

Compound Namedinaphthalen-2-ylmethanone
PubChem CID10945915
Molecular FormulaC21H14O
Molecular Weight282.34 g/mol
Exact Mass282.10
IUPAC Namedinaphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14O/c22-21(19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChIKeyVLEZVYXNVAHDOI-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.34
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
naphthalene-2-carboxylic acid
CID 175967775
cyclobuten-1-yl(naphthalen-2-yl)methanone
CID 102414446
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
potassium naphthalene-2-carboxylate
CID 23664129
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-2-ylmethanone?
The IUPAC name of dinaphthalen-2-ylmethanone (CID 10945915) is dinaphthalen-2-ylmethanone.
What is the SMILES notation for dinaphthalen-2-ylmethanone?
The canonical SMILES for dinaphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of dinaphthalen-2-ylmethanone?
The InChIKey is VLEZVYXNVAHDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O/c22-21(19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H.
What are the key properties of dinaphthalen-2-ylmethanone?
dinaphthalen-2-ylmethanone has a molecular weight of 282.34 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-2-ylmethanone is sourced from PubChem (CID 10945915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).