6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C15H10Cl2 — CID 141080576

IUPAC6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESClc1ccc2c(c1)C=Cc1cc(Cl)ccc1C2
InChIInChI=1S/C15H10Cl2/c16-14-5-3-10-7-11-4-6-15(17)9-13(11)2-1-12(10)8-14/h1-6,8-9H,7H2
InChIKeyAORUJITVHRMBKP-UHFFFAOYSA-N
MW261.15 g/mol
LogP5.07
Rot. Bonds

About 6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 141080576) has the molecular formula C15H10Cl2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID141080576
Molecular FormulaC15H10Cl2
Molecular Weight261.15 g/mol
Exact Mass260.02
IUPAC Name6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESClc1ccc2c(c1)C=Cc1cc(Cl)ccc1C2
InChIInChI=1S/C15H10Cl2/c16-14-5-3-10-7-11-4-6-15(17)9-13(11)2-1-12(10)8-14/h1-6,8-9H,7H2
InChIKeyAORUJITVHRMBKP-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.15
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 141080576) is 6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for 6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is Clc1ccc2c(c1)C=Cc1cc(Cl)ccc1C2.
What is the InChIKey of 6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is AORUJITVHRMBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2/c16-14-5-3-10-7-11-4-6-15(17)9-13(11)2-1-12(10)8-14/h1-6,8-9H,7H2.
What are the key properties of 6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 261.15 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dichlorotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 141080576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).