1-bromoanthracen-9-ol;methane

C15H13BrO — CID 21197331

IUPAC1-bromoanthracen-9-ol;methane
SMILESC.Oc1c2ccccc2cc2cccc(Br)c12
InChIInChI=1S/C14H9BrO.CH4/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12;/h1-8,16H;1H4
InChIKeyHYIMKPIPRAMJDU-UHFFFAOYSA-N
MW289.17 g/mol
LogP5.10
Rot. Bonds

About 1-bromoanthracen-9-ol;methane

1-bromoanthracen-9-ol;methane (PubChem CID 21197331) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-bromoanthracen-9-ol;methane.

Molecular Properties

Compound Name1-bromoanthracen-9-ol;methane
PubChem CID21197331
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name1-bromoanthracen-9-ol;methane
SMILESC.Oc1c2ccccc2cc2cccc(Br)c12
InChIInChI=1S/C14H9BrO.CH4/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12;/h1-8,16H;1H4
InChIKeyHYIMKPIPRAMJDU-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.17
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-bromoanthracen-9-ol;methane?
The IUPAC name of 1-bromoanthracen-9-ol;methane (CID 21197331) is 1-bromoanthracen-9-ol;methane.
What is the SMILES notation for 1-bromoanthracen-9-ol;methane?
The canonical SMILES for 1-bromoanthracen-9-ol;methane is C.Oc1c2ccccc2cc2cccc(Br)c12.
What is the InChIKey of 1-bromoanthracen-9-ol;methane?
The InChIKey is HYIMKPIPRAMJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO.CH4/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12;/h1-8,16H;1H4.
What are the key properties of 1-bromoanthracen-9-ol;methane?
1-bromoanthracen-9-ol;methane has a molecular weight of 289.17 g/mol, XLogP of 5.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoanthracen-9-ol;methane is sourced from PubChem (CID 21197331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).