dinaphthalen-1-ylmethanone

C21H14O — CID 5122785

IUPACdinaphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C21H14O/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyAZRQQTKALKINGP-UHFFFAOYSA-N
MW282.34 g/mol
LogP5.22
Rot. Bonds2

About dinaphthalen-1-ylmethanone

dinaphthalen-1-ylmethanone (PubChem CID 5122785) has the molecular formula C21H14O and a molecular weight of 282.34 g/mol. Its IUPAC name is dinaphthalen-1-ylmethanone.

Molecular Properties

Compound Namedinaphthalen-1-ylmethanone
PubChem CID5122785
Molecular FormulaC21H14O
Molecular Weight282.34 g/mol
Exact Mass282.10
IUPAC Namedinaphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C21H14O/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyAZRQQTKALKINGP-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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Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylmethanone?
The IUPAC name of dinaphthalen-1-ylmethanone (CID 5122785) is dinaphthalen-1-ylmethanone.
What is the SMILES notation for dinaphthalen-1-ylmethanone?
The canonical SMILES for dinaphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of dinaphthalen-1-ylmethanone?
The InChIKey is AZRQQTKALKINGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H.
What are the key properties of dinaphthalen-1-ylmethanone?
dinaphthalen-1-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-1-ylmethanone is sourced from PubChem (CID 5122785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).