4,10-dichloroanthracene-9-carbaldehyde

C15H8Cl2O — CID 13375395

IUPAC4,10-dichloroanthracene-9-carbaldehyde
SMILESO=Cc1c2ccccc2c(Cl)c2c(Cl)cccc12
InChIInChI=1S/C15H8Cl2O/c16-13-7-3-6-10-12(8-18)9-4-1-2-5-11(9)15(17)14(10)13/h1-8H
InChIKeySAGGALJEKVRKJT-UHFFFAOYSA-N
MW275.13 g/mol
LogP5.11
Rot. Bonds1

About 4,10-dichloroanthracene-9-carbaldehyde

4,10-dichloroanthracene-9-carbaldehyde (PubChem CID 13375395) has the molecular formula C15H8Cl2O and a molecular weight of 275.13 g/mol. Its IUPAC name is 4,10-dichloroanthracene-9-carbaldehyde.

Molecular Properties

Compound Name4,10-dichloroanthracene-9-carbaldehyde
PubChem CID13375395
Molecular FormulaC15H8Cl2O
Molecular Weight275.13 g/mol
Exact Mass274.00
IUPAC Name4,10-dichloroanthracene-9-carbaldehyde
SMILESO=Cc1c2ccccc2c(Cl)c2c(Cl)cccc12
InChIInChI=1S/C15H8Cl2O/c16-13-7-3-6-10-12(8-18)9-4-1-2-5-11(9)15(17)14(10)13/h1-8H
InChIKeySAGGALJEKVRKJT-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.13
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,10-dichloroanthracene-9-carbaldehyde?
The IUPAC name of 4,10-dichloroanthracene-9-carbaldehyde (CID 13375395) is 4,10-dichloroanthracene-9-carbaldehyde.
What is the SMILES notation for 4,10-dichloroanthracene-9-carbaldehyde?
The canonical SMILES for 4,10-dichloroanthracene-9-carbaldehyde is O=Cc1c2ccccc2c(Cl)c2c(Cl)cccc12.
What is the InChIKey of 4,10-dichloroanthracene-9-carbaldehyde?
The InChIKey is SAGGALJEKVRKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O/c16-13-7-3-6-10-12(8-18)9-4-1-2-5-11(9)15(17)14(10)13/h1-8H.
What are the key properties of 4,10-dichloroanthracene-9-carbaldehyde?
4,10-dichloroanthracene-9-carbaldehyde has a molecular weight of 275.13 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dichloroanthracene-9-carbaldehyde is sourced from PubChem (CID 13375395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).