1,2,3,6-tetrahydrochrysene

C18H16 — CID 174255950

IUPAC1,2,3,6-tetrahydrochrysene
SMILESC1=c2c(ccc3c2=CCc2ccccc2-3)CCC1
InChIInChI=1S/C18H16/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1,3,5,7-8,10-12H,2,4,6,9H2
InChIKeyLZYZLAFBFIJPDZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.81
Rot. Bonds

About 1,2,3,6-tetrahydrochrysene

1,2,3,6-tetrahydrochrysene (PubChem CID 174255950) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,2,3,6-tetrahydrochrysene.

Molecular Properties

Compound Name1,2,3,6-tetrahydrochrysene
PubChem CID174255950
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name1,2,3,6-tetrahydrochrysene
SMILESC1=c2c(ccc3c2=CCc2ccccc2-3)CCC1
InChIInChI=1S/C18H16/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1,3,5,7-8,10-12H,2,4,6,9H2
InChIKeyLZYZLAFBFIJPDZ-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzoyl benzoate;1,2,3,6-tetrahydrochrysene
CID 174591475
pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene
CID 174819544
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1,2,3,6-tetrahydrochrysene;hydrate
CID 174399139
1,1-dimethyl-3,6-dihydro-2H-chrysene
CID 174508199
1,6-dihydrochrysene
CID 141333626
1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole
CID 174925203
1-benzyl-1,2,3,6-tetrahydrochrysene
CID 174632975
3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene
CID 174511764
phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174511724
1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine
CID 175248018
1,2,3,6-tetrahydrochrysen-1-yl benzoate
CID 174455552
(4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone
CID 174525414

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydrochrysene?
The IUPAC name of 1,2,3,6-tetrahydrochrysene (CID 174255950) is 1,2,3,6-tetrahydrochrysene.
What is the SMILES notation for 1,2,3,6-tetrahydrochrysene?
The canonical SMILES for 1,2,3,6-tetrahydrochrysene is C1=c2c(ccc3c2=CCc2ccccc2-3)CCC1.
What is the InChIKey of 1,2,3,6-tetrahydrochrysene?
The InChIKey is LZYZLAFBFIJPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1,3,5,7-8,10-12H,2,4,6,9H2.
What are the key properties of 1,2,3,6-tetrahydrochrysene?
1,2,3,6-tetrahydrochrysene has a molecular weight of 232.33 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydrochrysene is sourced from PubChem (CID 174255950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).