phenanthridine-1,9-diol

C13H9NO2 — CID 142972562

IUPACphenanthridine-1,9-diol
SMILESOc1ccc2cnc3cccc(O)c3c2c1
InChIInChI=1S/C13H9NO2/c15-9-5-4-8-7-14-11-2-1-3-12(16)13(11)10(8)6-9/h1-7,15-16H
InChIKeyRMMPQJDOWNUMHC-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.80
Rot. Bonds

About phenanthridine-1,9-diol

phenanthridine-1,9-diol (PubChem CID 142972562) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is phenanthridine-1,9-diol.

Molecular Properties

Compound Namephenanthridine-1,9-diol
PubChem CID142972562
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Namephenanthridine-1,9-diol
SMILESOc1ccc2cnc3cccc(O)c3c2c1
InChIInChI=1S/C13H9NO2/c15-9-5-4-8-7-14-11-2-1-3-12(16)13(11)10(8)6-9/h1-7,15-16H
InChIKeyRMMPQJDOWNUMHC-UHFFFAOYSA-N
XLogP2.80
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-aminoquinolin-3-ol
CID 86583081
phenanthridine-1-thiol
CID 135666738
1-bromophenanthridine;hydrate
CID 175162345
triphenylene-2,6,10-triol
CID 19043276
2-aminoquinazolin-7-ol
CID 141030840
2-phenanthridin-1-ylacetic acid
CID 141175956
triphenylene-2,7-diol
CID 58078296
phenanthren-3-ol
CID 73057263
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
phenanthridine
CID 9189
8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol
CID 54182446
9-methylphenanthridine
CID 10987123

Frequently Asked Questions

What is the IUPAC name of phenanthridine-1,9-diol?
The IUPAC name of phenanthridine-1,9-diol (CID 142972562) is phenanthridine-1,9-diol.
What is the SMILES notation for phenanthridine-1,9-diol?
The canonical SMILES for phenanthridine-1,9-diol is Oc1ccc2cnc3cccc(O)c3c2c1.
What is the InChIKey of phenanthridine-1,9-diol?
The InChIKey is RMMPQJDOWNUMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-9-5-4-8-7-14-11-2-1-3-12(16)13(11)10(8)6-9/h1-7,15-16H.
What are the key properties of phenanthridine-1,9-diol?
phenanthridine-1,9-diol has a molecular weight of 211.22 g/mol, XLogP of 2.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthridine-1,9-diol is sourced from PubChem (CID 142972562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).