9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide

C14H14INO2 — CID 90673824

IUPAC9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide
SMILESI.NC1Cc2cc(O)c(O)cc2-c2ccccc21
InChIInChI=1S/C14H13NO2.HI/c15-12-5-8-6-13(16)14(17)7-11(8)9-3-1-2-4-10(9)12;/h1-4,6-7,12,16-17H,5,15H2;1H
InChIKeyFMNXLJAJIQZXPU-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.94
Rot. Bonds

About 9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide

9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide (PubChem CID 90673824) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide.

Molecular Properties

Compound Name9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide
PubChem CID90673824
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide
SMILESI.NC1Cc2cc(O)c(O)cc2-c2ccccc21
InChIInChI=1S/C14H13NO2.HI/c15-12-5-8-6-13(16)14(17)7-11(8)9-3-1-2-4-10(9)12;/h1-4,6-7,12,16-17H,5,15H2;1H
InChIKeyFMNXLJAJIQZXPU-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide?
The IUPAC name of 9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide (CID 90673824) is 9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide.
What is the SMILES notation for 9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide?
The canonical SMILES for 9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide is I.NC1Cc2cc(O)c(O)cc2-c2ccccc21.
What is the InChIKey of 9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide?
The InChIKey is FMNXLJAJIQZXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.HI/c15-12-5-8-6-13(16)14(17)7-11(8)9-3-1-2-4-10(9)12;/h1-4,6-7,12,16-17H,5,15H2;1H.
What are the key properties of 9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide?
9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide has a molecular weight of 355.18 g/mol, XLogP of 2.94, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide is sourced from PubChem (CID 90673824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).