10-iodosylphenanthrene-9-carboxylic acid

C15H9IO3 — CID 15181821

IUPAC10-iodosylphenanthrene-9-carboxylic acid
SMILESO=Ic1c(C(=O)O)c2ccccc2c2ccccc12
InChIInChI=1S/C15H9IO3/c17-15(18)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16-19/h1-8H,(H,17,18)
InChIKeyCZORJMIJCLCIOW-UHFFFAOYSA-N
MW364.14 g/mol
LogP4.18
Rot. Bonds2

About 10-iodosylphenanthrene-9-carboxylic acid

10-iodosylphenanthrene-9-carboxylic acid (PubChem CID 15181821) has the molecular formula C15H9IO3 and a molecular weight of 364.14 g/mol. Its IUPAC name is 10-iodosylphenanthrene-9-carboxylic acid.

Molecular Properties

Compound Name10-iodosylphenanthrene-9-carboxylic acid
PubChem CID15181821
Molecular FormulaC15H9IO3
Molecular Weight364.14 g/mol
Exact Mass363.96
IUPAC Name10-iodosylphenanthrene-9-carboxylic acid
SMILESO=Ic1c(C(=O)O)c2ccccc2c2ccccc12
InChIInChI=1S/C15H9IO3/c17-15(18)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16-19/h1-8H,(H,17,18)
InChIKeyCZORJMIJCLCIOW-UHFFFAOYSA-N
XLogP4.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-iodosylphenanthrene-9-carboxylic acid?
The IUPAC name of 10-iodosylphenanthrene-9-carboxylic acid (CID 15181821) is 10-iodosylphenanthrene-9-carboxylic acid.
What is the SMILES notation for 10-iodosylphenanthrene-9-carboxylic acid?
The canonical SMILES for 10-iodosylphenanthrene-9-carboxylic acid is O=Ic1c(C(=O)O)c2ccccc2c2ccccc12.
What is the InChIKey of 10-iodosylphenanthrene-9-carboxylic acid?
The InChIKey is CZORJMIJCLCIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IO3/c17-15(18)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16-19/h1-8H,(H,17,18).
What are the key properties of 10-iodosylphenanthrene-9-carboxylic acid?
10-iodosylphenanthrene-9-carboxylic acid has a molecular weight of 364.14 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iodosylphenanthrene-9-carboxylic acid is sourced from PubChem (CID 15181821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).