8,9-dichloro-2,3,4,5-tetrahydrochrysene

C18H14Cl2 — CID 174698795

IUPAC8,9-dichloro-2,3,4,5-tetrahydrochrysene
SMILESClc1cc2c(cc1Cl)=c1ccc3c(c1CC=2)CCCC=3
InChIInChI=1S/C18H14Cl2/c19-17-9-12-6-8-14-13-4-2-1-3-11(13)5-7-15(14)16(12)10-18(17)20/h3,5-7,9-10H,1-2,4,8H2
InChIKeyLNYMALVXWNCTIZ-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.73
Rot. Bonds

About 8,9-dichloro-2,3,4,5-tetrahydrochrysene

8,9-dichloro-2,3,4,5-tetrahydrochrysene (PubChem CID 174698795) has the molecular formula C18H14Cl2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 8,9-dichloro-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name8,9-dichloro-2,3,4,5-tetrahydrochrysene
PubChem CID174698795
Molecular FormulaC18H14Cl2
Molecular Weight301.22 g/mol
Exact Mass300.05
IUPAC Name8,9-dichloro-2,3,4,5-tetrahydrochrysene
SMILESClc1cc2c(cc1Cl)=c1ccc3c(c1CC=2)CCCC=3
InChIInChI=1S/C18H14Cl2/c19-17-9-12-6-8-14-13-4-2-1-3-11(13)5-7-15(14)16(12)10-18(17)20/h3,5-7,9-10H,1-2,4,8H2
InChIKeyLNYMALVXWNCTIZ-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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Related Compounds

7,8-dichloro-2,3,4,5-tetrahydrochrysene
CID 175280785
1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene
CID 175274731
2-[2-methyl-1-(8,9,10,11-tetrahydrochrysen-2-yl)propyl]benzene-1,3-dicarboxylic acid
CID 174828829
2,3,4,5-tetrahydrochrysene;2,2,6-trimethyl-1H-pyridine
CID 174452743
1,5-benzothiazepine;2,3,4,5-tetrahydrochrysene
CID 174283510
tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate
CID 174398352
8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene
CID 174546947
8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174546962
8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174532849
4,5-dihydro-3H-chrysen-2-one
CID 174363316
cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene
CID 174797530
8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
CID 175252158

Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-2,3,4,5-tetrahydrochrysene?
The IUPAC name of 8,9-dichloro-2,3,4,5-tetrahydrochrysene (CID 174698795) is 8,9-dichloro-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 8,9-dichloro-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 8,9-dichloro-2,3,4,5-tetrahydrochrysene is Clc1cc2c(cc1Cl)=c1ccc3c(c1CC=2)CCCC=3.
What is the InChIKey of 8,9-dichloro-2,3,4,5-tetrahydrochrysene?
The InChIKey is LNYMALVXWNCTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2/c19-17-9-12-6-8-14-13-4-2-1-3-11(13)5-7-15(14)16(12)10-18(17)20/h3,5-7,9-10H,1-2,4,8H2.
What are the key properties of 8,9-dichloro-2,3,4,5-tetrahydrochrysene?
8,9-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 8,9-dichloro-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 174698795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).