8-chloro-5,6-dihydrochrysene

C18H13Cl — CID 174309529

IUPAC8-chloro-5,6-dihydrochrysene
SMILESClc1ccc2c(c1)CCc1c-2ccc2ccccc12
InChIInChI=1S/C18H13Cl/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-5,7-8,10-11H,6,9H2
InChIKeyYOIGQUWONXNLRI-UHFFFAOYSA-N
MW264.75 g/mol
LogP5.26
Rot. Bonds

About 8-chloro-5,6-dihydrochrysene

8-chloro-5,6-dihydrochrysene (PubChem CID 174309529) has the molecular formula C18H13Cl and a molecular weight of 264.75 g/mol. Its IUPAC name is 8-chloro-5,6-dihydrochrysene.

Molecular Properties

Compound Name8-chloro-5,6-dihydrochrysene
PubChem CID174309529
Molecular FormulaC18H13Cl
Molecular Weight264.75 g/mol
Exact Mass264.07
IUPAC Name8-chloro-5,6-dihydrochrysene
SMILESClc1ccc2c(c1)CCc1c-2ccc2ccccc12
InChIInChI=1S/C18H13Cl/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-5,7-8,10-11H,6,9H2
InChIKeyYOIGQUWONXNLRI-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.75
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8-chloro-5,6-dihydrochrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5,6-dihydrochrysene?
The IUPAC name of 8-chloro-5,6-dihydrochrysene (CID 174309529) is 8-chloro-5,6-dihydrochrysene.
What is the SMILES notation for 8-chloro-5,6-dihydrochrysene?
The canonical SMILES for 8-chloro-5,6-dihydrochrysene is Clc1ccc2c(c1)CCc1c-2ccc2ccccc12.
What is the InChIKey of 8-chloro-5,6-dihydrochrysene?
The InChIKey is YOIGQUWONXNLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-5,7-8,10-11H,6,9H2.
What are the key properties of 8-chloro-5,6-dihydrochrysene?
8-chloro-5,6-dihydrochrysene has a molecular weight of 264.75 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5,6-dihydrochrysene is sourced from PubChem (CID 174309529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).