1-(chloromethyl)anthracene

C15H11Cl — CID 18004230

IUPAC1-(chloromethyl)anthracene
SMILESClCc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H11Cl/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2
InChIKeyVSHOGDPTIIHVSB-UHFFFAOYSA-N
MW226.71 g/mol
LogP4.73
Rot. Bonds1

About 1-(chloromethyl)anthracene

1-(chloromethyl)anthracene (PubChem CID 18004230) has the molecular formula C15H11Cl and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(chloromethyl)anthracene.

Molecular Properties

Compound Name1-(chloromethyl)anthracene
PubChem CID18004230
Molecular FormulaC15H11Cl
Molecular Weight226.71 g/mol
Exact Mass226.05
IUPAC Name1-(chloromethyl)anthracene
SMILESClCc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H11Cl/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2
InChIKeyVSHOGDPTIIHVSB-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 54.73
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'}

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Related Compounds

CID 173167056
CID 173167056
anthracen-1-ylmethanolate
CID 57358748
O-(anthracen-1-ylmethyl)hydroxylamine
CID 14420766
1-(2,2-difluoroethyl)anthracene
CID 58435964
1-(phenoxymethyl)anthracene
CID 18517350
1-(cyclononylmethyl)anthracene
CID 173272600
1-prop-2-enyltetracene
CID 162689403
2-tetracen-1-ylacetamide
CID 139927285
1-ethylanthracene;formic acid
CID 175485335
3-anthracen-1-ylpropane-1,2-diol
CID 175541377
4-tetracen-1-ylbutan-1-ol
CID 87369368
anthracen-1-ylmethyl formate
CID 54364674

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)anthracene?
The IUPAC name of 1-(chloromethyl)anthracene (CID 18004230) is 1-(chloromethyl)anthracene.
What is the SMILES notation for 1-(chloromethyl)anthracene?
The canonical SMILES for 1-(chloromethyl)anthracene is ClCc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-(chloromethyl)anthracene?
The InChIKey is VSHOGDPTIIHVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2.
What are the key properties of 1-(chloromethyl)anthracene?
1-(chloromethyl)anthracene has a molecular weight of 226.71 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)anthracene is sourced from PubChem (CID 18004230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).