9-chloro-10-(chloromethyl)anthracene

C15H10Cl2 — CID 29899

IUPAC9-chloro-10-(chloromethyl)anthracene
SMILESClCc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C15H10Cl2/c16-9-14-10-5-1-3-7-12(10)15(17)13-8-4-2-6-11(13)14/h1-8H,9H2
InChIKeyXPUGCURTNYKMLB-UHFFFAOYSA-N
MW261.15 g/mol
LogP5.39
Rot. Bonds1

About 9-chloro-10-(chloromethyl)anthracene

9-chloro-10-(chloromethyl)anthracene (PubChem CID 29899) has the molecular formula C15H10Cl2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 9-chloro-10-(chloromethyl)anthracene.

Molecular Properties

Compound Name9-chloro-10-(chloromethyl)anthracene
PubChem CID29899
Molecular FormulaC15H10Cl2
Molecular Weight261.15 g/mol
Exact Mass260.02
IUPAC Name9-chloro-10-(chloromethyl)anthracene
SMILESClCc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C15H10Cl2/c16-9-14-10-5-1-3-7-12(10)15(17)13-8-4-2-6-11(13)14/h1-8H,9H2
InChIKeyXPUGCURTNYKMLB-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.15
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-chloro-10-(chloromethyl)anthracene with MolForge

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

Launch Full Analysis

Related Compounds

9-(Chloromethyl)anthracene
CID 32385
9,10-Bis(chloromethyl)anthracene
CID 25219
Pyrene, 1,3,6,8-tetrachloro-
CID 66473
2-Chloroanthracene
CID 28308
9-Chloroanthracene
CID 69744
9,10-Dichloroanthracene
CID 11800
1-Chloroanthracene
CID 39740
1-Chloropyrene
CID 36730
7-Chlorobenz(a)anthracene
CID 88446
7-(Chloromethyl)benz(a)anthracene
CID 95722
1-(Chloromethyl)pyrene
CID 97581
9-Chlorophenanthrene
CID 13694

Frequently Asked Questions

What is the IUPAC name of 9-chloro-10-(chloromethyl)anthracene?
The IUPAC name of 9-chloro-10-(chloromethyl)anthracene (CID 29899) is 9-chloro-10-(chloromethyl)anthracene.
What is the SMILES notation for 9-chloro-10-(chloromethyl)anthracene?
The canonical SMILES for 9-chloro-10-(chloromethyl)anthracene is ClCc1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of 9-chloro-10-(chloromethyl)anthracene?
The InChIKey is XPUGCURTNYKMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2/c16-9-14-10-5-1-3-7-12(10)15(17)13-8-4-2-6-11(13)14/h1-8H,9H2.
What are the key properties of 9-chloro-10-(chloromethyl)anthracene?
9-chloro-10-(chloromethyl)anthracene has a molecular weight of 261.15 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-10-(chloromethyl)anthracene is sourced from PubChem (CID 29899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).