8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene

C20H17Cl — CID 174611459

IUPAC8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene
SMILESC=CC1CC2=C(C=CCC2)c2ccc3cc(Cl)ccc3c21
InChIInChI=1S/C20H17Cl/c1-2-13-11-14-5-3-4-6-17(14)19-9-7-15-12-16(21)8-10-18(15)20(13)19/h2,4,6-10,12-13H,1,3,5,11H2
InChIKeyQEWKGLHETNFWOO-UHFFFAOYSA-N
MW292.81 g/mol
LogP6.27
Rot. Bonds1

About 8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene

8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene (PubChem CID 174611459) has the molecular formula C20H17Cl and a molecular weight of 292.81 g/mol. Its IUPAC name is 8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene
PubChem CID174611459
Molecular FormulaC20H17Cl
Molecular Weight292.81 g/mol
Exact Mass292.10
IUPAC Name8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene
SMILESC=CC1CC2=C(C=CCC2)c2ccc3cc(Cl)ccc3c21
InChIInChI=1S/C20H17Cl/c1-2-13-11-14-5-3-4-6-17(14)19-9-7-15-12-16(21)8-10-18(15)20(13)19/h2,4,6-10,12-13H,1,3,5,11H2
InChIKeyQEWKGLHETNFWOO-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.81
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene?
The IUPAC name of 8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene (CID 174611459) is 8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for 8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene?
The canonical SMILES for 8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene is C=CC1CC2=C(C=CCC2)c2ccc3cc(Cl)ccc3c21.
What is the InChIKey of 8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene?
The InChIKey is QEWKGLHETNFWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl/c1-2-13-11-14-5-3-4-6-17(14)19-9-7-15-12-16(21)8-10-18(15)20(13)19/h2,4,6-10,12-13H,1,3,5,11H2.
What are the key properties of 8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene?
8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene has a molecular weight of 292.81 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-11-ethenyl-1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174611459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).