3-bromo-6-hydroxyphenanthrene-9,10-dione

C14H7BrO3 — CID 67151152

IUPAC3-bromo-6-hydroxyphenanthrene-9,10-dione
SMILESO=C1C(=O)c2ccc(Br)cc2-c2cc(O)ccc21
InChIInChI=1S/C14H7BrO3/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6,16H
InChIKeyJYCQFPDMQMEPMW-UHFFFAOYSA-N
MW303.11 g/mol
LogP3.20
Rot. Bonds

About 3-bromo-6-hydroxyphenanthrene-9,10-dione

3-bromo-6-hydroxyphenanthrene-9,10-dione (PubChem CID 67151152) has the molecular formula C14H7BrO3 and a molecular weight of 303.11 g/mol. Its IUPAC name is 3-bromo-6-hydroxyphenanthrene-9,10-dione.

Molecular Properties

Compound Name3-bromo-6-hydroxyphenanthrene-9,10-dione
PubChem CID67151152
Molecular FormulaC14H7BrO3
Molecular Weight303.11 g/mol
Exact Mass301.96
IUPAC Name3-bromo-6-hydroxyphenanthrene-9,10-dione
SMILESO=C1C(=O)c2ccc(Br)cc2-c2cc(O)ccc21
InChIInChI=1S/C14H7BrO3/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6,16H
InChIKeyJYCQFPDMQMEPMW-UHFFFAOYSA-N
XLogP3.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-hydroxyphenanthrene-9,10-dione?
The IUPAC name of 3-bromo-6-hydroxyphenanthrene-9,10-dione (CID 67151152) is 3-bromo-6-hydroxyphenanthrene-9,10-dione.
What is the SMILES notation for 3-bromo-6-hydroxyphenanthrene-9,10-dione?
The canonical SMILES for 3-bromo-6-hydroxyphenanthrene-9,10-dione is O=C1C(=O)c2ccc(Br)cc2-c2cc(O)ccc21.
What is the InChIKey of 3-bromo-6-hydroxyphenanthrene-9,10-dione?
The InChIKey is JYCQFPDMQMEPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrO3/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6,16H.
What are the key properties of 3-bromo-6-hydroxyphenanthrene-9,10-dione?
3-bromo-6-hydroxyphenanthrene-9,10-dione has a molecular weight of 303.11 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-hydroxyphenanthrene-9,10-dione is sourced from PubChem (CID 67151152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).