1,2-dichlorobenzo[b]phenalen-7-one

C17H8Cl2O — CID 20841807

IUPAC1,2-dichlorobenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2c(Cl)c(Cl)cc3cccc1c23
InChIInChI=1S/C17H8Cl2O/c18-13-8-9-4-3-7-12-14(9)15(16(13)19)10-5-1-2-6-11(10)17(12)20/h1-8H
InChIKeyBTRQGGVLDWMVPD-UHFFFAOYSA-N
MW299.16 g/mol
LogP5.36
Rot. Bonds

About 1,2-dichlorobenzo[b]phenalen-7-one

1,2-dichlorobenzo[b]phenalen-7-one (PubChem CID 20841807) has the molecular formula C17H8Cl2O and a molecular weight of 299.16 g/mol. Its IUPAC name is 1,2-dichlorobenzo[b]phenalen-7-one.

Molecular Properties

Compound Name1,2-dichlorobenzo[b]phenalen-7-one
PubChem CID20841807
Molecular FormulaC17H8Cl2O
Molecular Weight299.16 g/mol
Exact Mass298.00
IUPAC Name1,2-dichlorobenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2c(Cl)c(Cl)cc3cccc1c23
InChIInChI=1S/C17H8Cl2O/c18-13-8-9-4-3-7-12-14(9)15(16(13)19)10-5-1-2-6-11(10)17(12)20/h1-8H
InChIKeyBTRQGGVLDWMVPD-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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Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzo[b]phenalen-7-one?
The IUPAC name of 1,2-dichlorobenzo[b]phenalen-7-one (CID 20841807) is 1,2-dichlorobenzo[b]phenalen-7-one.
What is the SMILES notation for 1,2-dichlorobenzo[b]phenalen-7-one?
The canonical SMILES for 1,2-dichlorobenzo[b]phenalen-7-one is O=C1c2ccccc2-c2c(Cl)c(Cl)cc3cccc1c23.
What is the InChIKey of 1,2-dichlorobenzo[b]phenalen-7-one?
The InChIKey is BTRQGGVLDWMVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2O/c18-13-8-9-4-3-7-12-14(9)15(16(13)19)10-5-1-2-6-11(10)17(12)20/h1-8H.
What are the key properties of 1,2-dichlorobenzo[b]phenalen-7-one?
1,2-dichlorobenzo[b]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 1,2-dichlorobenzo[b]phenalen-7-one is sourced from PubChem (CID 20841807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).