4,10-dichlorochrysene

C18H10Cl2 — CID 25003186

IUPAC4,10-dichlorochrysene
SMILESClc1cccc2ccc3c(ccc4cccc(Cl)c43)c12
InChIInChI=1S/C18H10Cl2/c19-15-5-1-3-11-7-9-14-13(17(11)15)10-8-12-4-2-6-16(20)18(12)14/h1-10H
InChIKeyIRDHCTNSVFZURJ-UHFFFAOYSA-N
MW297.18 g/mol
LogP6.45
Rot. Bonds

About 4,10-dichlorochrysene

4,10-dichlorochrysene (PubChem CID 25003186) has the molecular formula C18H10Cl2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 4,10-dichlorochrysene.

Molecular Properties

Compound Name4,10-dichlorochrysene
PubChem CID25003186
Molecular FormulaC18H10Cl2
Molecular Weight297.18 g/mol
Exact Mass296.02
IUPAC Name4,10-dichlorochrysene
SMILESClc1cccc2ccc3c(ccc4cccc(Cl)c43)c12
InChIInChI=1S/C18H10Cl2/c19-15-5-1-3-11-7-9-14-13(17(11)15)10-8-12-4-2-6-16(20)18(12)14/h1-10H
InChIKeyIRDHCTNSVFZURJ-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.18
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,10-dichlorochrysene?
The IUPAC name of 4,10-dichlorochrysene (CID 25003186) is 4,10-dichlorochrysene.
What is the SMILES notation for 4,10-dichlorochrysene?
The canonical SMILES for 4,10-dichlorochrysene is Clc1cccc2ccc3c(ccc4cccc(Cl)c43)c12.
What is the InChIKey of 4,10-dichlorochrysene?
The InChIKey is IRDHCTNSVFZURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2/c19-15-5-1-3-11-7-9-14-13(17(11)15)10-8-12-4-2-6-16(20)18(12)14/h1-10H.
What are the key properties of 4,10-dichlorochrysene?
4,10-dichlorochrysene has a molecular weight of 297.18 g/mol, XLogP of 6.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dichlorochrysene is sourced from PubChem (CID 25003186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).