9-(bromomethyl)anthracene

C15H11Br — CID 17019

IUPAC9-(bromomethyl)anthracene
SMILESBrCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H11Br/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
InChIKeyKOWKPLCVFRHICH-UHFFFAOYSA-N
MW271.16 g/mol
LogP4.89
Rot. Bonds1

About 9-(bromomethyl)anthracene

9-(bromomethyl)anthracene (PubChem CID 17019) has the molecular formula C15H11Br and a molecular weight of 271.16 g/mol. Its IUPAC name is 9-(bromomethyl)anthracene.

Molecular Properties

Compound Name9-(bromomethyl)anthracene
PubChem CID17019
Molecular FormulaC15H11Br
Molecular Weight271.16 g/mol
Exact Mass270.00
IUPAC Name9-(bromomethyl)anthracene
SMILESBrCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H11Br/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
InChIKeyKOWKPLCVFRHICH-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 54.89
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

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
Benzo(E)Pyrene
CID 9128
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
Benzo(ghi)perylene
CID 9117
1-Methylpyrene
CID 16932
Dibenzo(a,l)pyrene
CID 9119
2-Methylnaphthalene
CID 7055

Frequently Asked Questions

What is the IUPAC name of 9-(bromomethyl)anthracene?
The IUPAC name of 9-(bromomethyl)anthracene (CID 17019) is 9-(bromomethyl)anthracene.
What is the SMILES notation for 9-(bromomethyl)anthracene?
The canonical SMILES for 9-(bromomethyl)anthracene is BrCc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-(bromomethyl)anthracene?
The InChIKey is KOWKPLCVFRHICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2.
What are the key properties of 9-(bromomethyl)anthracene?
9-(bromomethyl)anthracene has a molecular weight of 271.16 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(bromomethyl)anthracene is sourced from PubChem (CID 17019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).