9-(dichloromethyl)anthracene

C15H10Cl2 — CID 4281288

IUPAC9-(dichloromethyl)anthracene
SMILESClC(Cl)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H10Cl2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H
InChIKeyCMPZOGGTWAMRSZ-UHFFFAOYSA-N
MW261.15 g/mol
LogP5.47
Rot. Bonds1

About 9-(dichloromethyl)anthracene

9-(dichloromethyl)anthracene (PubChem CID 4281288) has the molecular formula C15H10Cl2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 9-(dichloromethyl)anthracene.

Molecular Properties

Compound Name9-(dichloromethyl)anthracene
PubChem CID4281288
Molecular FormulaC15H10Cl2
Molecular Weight261.15 g/mol
Exact Mass260.02
IUPAC Name9-(dichloromethyl)anthracene
SMILESClC(Cl)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H10Cl2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H
InChIKeyCMPZOGGTWAMRSZ-UHFFFAOYSA-N
XLogP5.47
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 ≤ 55.47
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-(dichloromethyl)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

(1S)-1-anthracen-9-yl-2-fluoroethanamine
CID 171197554
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
12-butan-2-ylbenzo[a]anthracene
CID 145179734
2-anthracen-9-yl-2-phenylethanol
CID 87369453
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
CID 13203482
CID 13203482
2,2-dichloro-1-phenanthren-9-ylethanone
CID 146007827
9-(1-deuteriooxy-2,2,2-trifluoroethyl)anthracene
CID 22850478
9-(2,2,5,5-tetramethylhexan-3-yl)anthracene
CID 143687855
dimethyl 2-anthracen-9-ylpropanedioate
CID 102159611
[anthracen-9-yl(phenyl)methyl]-triphenylphosphanium chloride
CID 71327082
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024

Frequently Asked Questions

What is the IUPAC name of 9-(dichloromethyl)anthracene?
The IUPAC name of 9-(dichloromethyl)anthracene (CID 4281288) is 9-(dichloromethyl)anthracene.
What is the SMILES notation for 9-(dichloromethyl)anthracene?
The canonical SMILES for 9-(dichloromethyl)anthracene is ClC(Cl)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-(dichloromethyl)anthracene?
The InChIKey is CMPZOGGTWAMRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H.
What are the key properties of 9-(dichloromethyl)anthracene?
9-(dichloromethyl)anthracene has a molecular weight of 261.15 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dichloromethyl)anthracene is sourced from PubChem (CID 4281288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).