9-bromo-10-methylanthracene

C15H11Br — CID 5077898

IUPAC9-bromo-10-methylanthracene
SMILESCc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C15H11Br/c1-10-11-6-2-4-8-13(11)15(16)14-9-5-3-7-12(10)14/h2-9H,1H3
InChIKeyDSDGPRYUTYECJM-UHFFFAOYSA-N
MW271.16 g/mol
LogP5.06
Rot. Bonds

About 9-bromo-10-methylanthracene

9-bromo-10-methylanthracene (PubChem CID 5077898) has the molecular formula C15H11Br and a molecular weight of 271.16 g/mol. Its IUPAC name is 9-bromo-10-methylanthracene.

Molecular Properties

Compound Name9-bromo-10-methylanthracene
PubChem CID5077898
Molecular FormulaC15H11Br
Molecular Weight271.16 g/mol
Exact Mass270.00
IUPAC Name9-bromo-10-methylanthracene
SMILESCc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C15H11Br/c1-10-11-6-2-4-8-13(11)15(16)14-9-5-3-7-12(10)14/h2-9H,1H3
InChIKeyDSDGPRYUTYECJM-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.16
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-methylanthracene?
The IUPAC name of 9-bromo-10-methylanthracene (CID 5077898) is 9-bromo-10-methylanthracene.
What is the SMILES notation for 9-bromo-10-methylanthracene?
The canonical SMILES for 9-bromo-10-methylanthracene is Cc1c2ccccc2c(Br)c2ccccc12.
What is the InChIKey of 9-bromo-10-methylanthracene?
The InChIKey is DSDGPRYUTYECJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br/c1-10-11-6-2-4-8-13(11)15(16)14-9-5-3-7-12(10)14/h2-9H,1H3.
What are the key properties of 9-bromo-10-methylanthracene?
9-bromo-10-methylanthracene has a molecular weight of 271.16 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-methylanthracene is sourced from PubChem (CID 5077898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).