4,8-dichlorobenzo[a]phenalen-7-one

C17H8Cl2O — CID 154137372

IUPAC4,8-dichlorobenzo[a]phenalen-7-one
SMILESO=C1c2c(Cl)cccc2-c2cccc3c(Cl)ccc1c23
InChIInChI=1S/C17H8Cl2O/c18-13-8-7-12-15-9(3-1-5-11(13)15)10-4-2-6-14(19)16(10)17(12)20/h1-8H
InChIKeyFUZDTIZDDYJKFN-UHFFFAOYSA-N
MW299.16 g/mol
LogP5.36
Rot. Bonds

About 4,8-dichlorobenzo[a]phenalen-7-one

4,8-dichlorobenzo[a]phenalen-7-one (PubChem CID 154137372) has the molecular formula C17H8Cl2O and a molecular weight of 299.16 g/mol. Its IUPAC name is 4,8-dichlorobenzo[a]phenalen-7-one.

Molecular Properties

Compound Name4,8-dichlorobenzo[a]phenalen-7-one
PubChem CID154137372
Molecular FormulaC17H8Cl2O
Molecular Weight299.16 g/mol
Exact Mass298.00
IUPAC Name4,8-dichlorobenzo[a]phenalen-7-one
SMILESO=C1c2c(Cl)cccc2-c2cccc3c(Cl)ccc1c23
InChIInChI=1S/C17H8Cl2O/c18-13-8-7-12-15-9(3-1-5-11(13)15)10-4-2-6-14(19)16(10)17(12)20/h1-8H
InChIKeyFUZDTIZDDYJKFN-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.16
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 154097913
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CID 157462041
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Frequently Asked Questions

What is the IUPAC name of 4,8-dichlorobenzo[a]phenalen-7-one?
The IUPAC name of 4,8-dichlorobenzo[a]phenalen-7-one (CID 154137372) is 4,8-dichlorobenzo[a]phenalen-7-one.
What is the SMILES notation for 4,8-dichlorobenzo[a]phenalen-7-one?
The canonical SMILES for 4,8-dichlorobenzo[a]phenalen-7-one is O=C1c2c(Cl)cccc2-c2cccc3c(Cl)ccc1c23.
What is the InChIKey of 4,8-dichlorobenzo[a]phenalen-7-one?
The InChIKey is FUZDTIZDDYJKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2O/c18-13-8-7-12-15-9(3-1-5-11(13)15)10-4-2-6-14(19)16(10)17(12)20/h1-8H.
What are the key properties of 4,8-dichlorobenzo[a]phenalen-7-one?
4,8-dichlorobenzo[a]phenalen-7-one has a molecular weight of 299.16 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichlorobenzo[a]phenalen-7-one is sourced from PubChem (CID 154137372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).