1,8-dichloro-10-methylanthracene

C15H10Cl2 — CID 4071761

IUPAC1,8-dichloro-10-methylanthracene
SMILESCc1c2cccc(Cl)c2cc2c(Cl)cccc12
InChIInChI=1S/C15H10Cl2/c1-9-10-4-2-6-14(16)12(10)8-13-11(9)5-3-7-15(13)17/h2-8H,1H3
InChIKeyRBPCWJPIOIJAEX-UHFFFAOYSA-N
MW261.15 g/mol
LogP5.61
Rot. Bonds

About 1,8-dichloro-10-methylanthracene

1,8-dichloro-10-methylanthracene (PubChem CID 4071761) has the molecular formula C15H10Cl2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 1,8-dichloro-10-methylanthracene.

Molecular Properties

Compound Name1,8-dichloro-10-methylanthracene
PubChem CID4071761
Molecular FormulaC15H10Cl2
Molecular Weight261.15 g/mol
Exact Mass260.02
IUPAC Name1,8-dichloro-10-methylanthracene
SMILESCc1c2cccc(Cl)c2cc2c(Cl)cccc12
InChIInChI=1S/C15H10Cl2/c1-9-10-4-2-6-14(16)12(10)8-13-11(9)5-3-7-15(13)17/h2-8H,1H3
InChIKeyRBPCWJPIOIJAEX-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.15
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1,8-dichloro-10-methylanthracene 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 1,8-dichloro-10-methylanthracene?
The IUPAC name of 1,8-dichloro-10-methylanthracene (CID 4071761) is 1,8-dichloro-10-methylanthracene.
What is the SMILES notation for 1,8-dichloro-10-methylanthracene?
The canonical SMILES for 1,8-dichloro-10-methylanthracene is Cc1c2cccc(Cl)c2cc2c(Cl)cccc12.
What is the InChIKey of 1,8-dichloro-10-methylanthracene?
The InChIKey is RBPCWJPIOIJAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2/c1-9-10-4-2-6-14(16)12(10)8-13-11(9)5-3-7-15(13)17/h2-8H,1H3.
What are the key properties of 1,8-dichloro-10-methylanthracene?
1,8-dichloro-10-methylanthracene has a molecular weight of 261.15 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloro-10-methylanthracene is sourced from PubChem (CID 4071761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).