1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione

C24H13ClO3 — CID 22759192

IUPAC1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(Oc3cccc4cccc(Cl)c34)cccc21
InChIInChI=1S/C24H13ClO3/c25-18-11-3-6-14-7-4-12-19(21(14)18)28-20-13-5-10-17-22(20)24(27)16-9-2-1-8-15(16)23(17)26/h1-13H
InChIKeyOPPISTAFKRGXDV-UHFFFAOYSA-N
MW384.82 g/mol
LogP6.06
Rot. Bonds2

About 1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione

1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione (PubChem CID 22759192) has the molecular formula C24H13ClO3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione
PubChem CID22759192
Molecular FormulaC24H13ClO3
Molecular Weight384.82 g/mol
Exact Mass384.06
IUPAC Name1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(Oc3cccc4cccc(Cl)c34)cccc21
InChIInChI=1S/C24H13ClO3/c25-18-11-3-6-14-7-4-12-19(21(14)18)28-20-13-5-10-17-22(20)24(27)16-9-2-1-8-15(16)23(17)26/h1-13H
InChIKeyOPPISTAFKRGXDV-UHFFFAOYSA-N
XLogP6.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.82
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione?
The IUPAC name of 1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione (CID 22759192) is 1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione.
What is the SMILES notation for 1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione?
The canonical SMILES for 1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c(Oc3cccc4cccc(Cl)c34)cccc21.
What is the InChIKey of 1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione?
The InChIKey is OPPISTAFKRGXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClO3/c25-18-11-3-6-14-7-4-12-19(21(14)18)28-20-13-5-10-17-22(20)24(27)16-9-2-1-8-15(16)23(17)26/h1-13H.
What are the key properties of 1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione?
1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione has a molecular weight of 384.82 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione is sourced from PubChem (CID 22759192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).