7,8-dichloro-2,3,4,5-tetrahydrochrysene

C18H14Cl2 — CID 175280785

IUPAC7,8-dichloro-2,3,4,5-tetrahydrochrysene
SMILESClc1ccc2c(c1Cl)=CCc1c3c(ccc1=2)=CCCC3
InChIInChI=1S/C18H14Cl2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h3,5-6,8-10H,1-2,4,7H2
InChIKeyUYURXOQMMWXRGZ-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.73
Rot. Bonds

About 7,8-dichloro-2,3,4,5-tetrahydrochrysene

7,8-dichloro-2,3,4,5-tetrahydrochrysene (PubChem CID 175280785) has the molecular formula C18H14Cl2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 7,8-dichloro-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name7,8-dichloro-2,3,4,5-tetrahydrochrysene
PubChem CID175280785
Molecular FormulaC18H14Cl2
Molecular Weight301.22 g/mol
Exact Mass300.05
IUPAC Name7,8-dichloro-2,3,4,5-tetrahydrochrysene
SMILESClc1ccc2c(c1Cl)=CCc1c3c(ccc1=2)=CCCC3
InChIInChI=1S/C18H14Cl2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h3,5-6,8-10H,1-2,4,7H2
InChIKeyUYURXOQMMWXRGZ-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2,3,4,5-tetrahydrochrysene?
The IUPAC name of 7,8-dichloro-2,3,4,5-tetrahydrochrysene (CID 175280785) is 7,8-dichloro-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 7,8-dichloro-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 7,8-dichloro-2,3,4,5-tetrahydrochrysene is Clc1ccc2c(c1Cl)=CCc1c3c(ccc1=2)=CCCC3.
What is the InChIKey of 7,8-dichloro-2,3,4,5-tetrahydrochrysene?
The InChIKey is UYURXOQMMWXRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h3,5-6,8-10H,1-2,4,7H2.
What are the key properties of 7,8-dichloro-2,3,4,5-tetrahydrochrysene?
7,8-dichloro-2,3,4,5-tetrahydrochrysene has a molecular weight of 301.22 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 175280785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).