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

C19H17Cl — CID 174608738

IUPAC8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene
SMILESCC1CC=CC2=C1CCc1c2ccc2cc(Cl)ccc12
InChIInChI=1S/C19H17Cl/c1-12-3-2-4-17-15(12)9-10-18-16-8-6-14(20)11-13(16)5-7-19(17)18/h2,4-8,11-12H,3,9-10H2,1H3
InChIKeyFAAOCYBFHWOUBB-UHFFFAOYSA-N
MW280.80 g/mol
LogP5.79
Rot. Bonds

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

8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene (PubChem CID 174608738) has the molecular formula C19H17Cl and a molecular weight of 280.80 g/mol. Its IUPAC name is 8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene
PubChem CID174608738
Molecular FormulaC19H17Cl
Molecular Weight280.80 g/mol
Exact Mass280.10
IUPAC Name8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene
SMILESCC1CC=CC2=C1CCc1c2ccc2cc(Cl)ccc12
InChIInChI=1S/C19H17Cl/c1-12-3-2-4-17-15(12)9-10-18-16-8-6-14(20)11-13(16)5-7-19(17)18/h2,4-8,11-12H,3,9-10H2,1H3
InChIKeyFAAOCYBFHWOUBB-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.80
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene?
The IUPAC name of 8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene (CID 174608738) is 8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for 8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene?
The canonical SMILES for 8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene is CC1CC=CC2=C1CCc1c2ccc2cc(Cl)ccc12.
What is the InChIKey of 8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene?
The InChIKey is FAAOCYBFHWOUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl/c1-12-3-2-4-17-15(12)9-10-18-16-8-6-14(20)11-13(16)5-7-19(17)18/h2,4-8,11-12H,3,9-10H2,1H3.
What are the key properties of 8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene?
8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene has a molecular weight of 280.80 g/mol, XLogP of 5.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-methyl-1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174608738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).