9-iodophenanthrene-3-carbonyl chloride

C15H8ClIO — CID 125490038

IUPAC9-iodophenanthrene-3-carbonyl chloride
SMILESO=C(Cl)c1ccc2cc(I)c3ccccc3c2c1
InChIInChI=1S/C15H8ClIO/c16-15(18)10-6-5-9-8-14(17)12-4-2-1-3-11(12)13(9)7-10/h1-8H
InChIKeyIYRCLPOGAWUCFF-UHFFFAOYSA-N
MW366.59 g/mol
LogP4.98
Rot. Bonds1

About 9-iodophenanthrene-3-carbonyl chloride

9-iodophenanthrene-3-carbonyl chloride (PubChem CID 125490038) has the molecular formula C15H8ClIO and a molecular weight of 366.59 g/mol. Its IUPAC name is 9-iodophenanthrene-3-carbonyl chloride.

Molecular Properties

Compound Name9-iodophenanthrene-3-carbonyl chloride
PubChem CID125490038
Molecular FormulaC15H8ClIO
Molecular Weight366.59 g/mol
Exact Mass365.93
IUPAC Name9-iodophenanthrene-3-carbonyl chloride
SMILESO=C(Cl)c1ccc2cc(I)c3ccccc3c2c1
InChIInChI=1S/C15H8ClIO/c16-15(18)10-6-5-9-8-14(17)12-4-2-1-3-11(12)13(9)7-10/h1-8H
InChIKeyIYRCLPOGAWUCFF-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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 9-iodophenanthrene-3-carbonyl chloride?
The IUPAC name of 9-iodophenanthrene-3-carbonyl chloride (CID 125490038) is 9-iodophenanthrene-3-carbonyl chloride.
What is the SMILES notation for 9-iodophenanthrene-3-carbonyl chloride?
The canonical SMILES for 9-iodophenanthrene-3-carbonyl chloride is O=C(Cl)c1ccc2cc(I)c3ccccc3c2c1.
What is the InChIKey of 9-iodophenanthrene-3-carbonyl chloride?
The InChIKey is IYRCLPOGAWUCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClIO/c16-15(18)10-6-5-9-8-14(17)12-4-2-1-3-11(12)13(9)7-10/h1-8H.
What are the key properties of 9-iodophenanthrene-3-carbonyl chloride?
9-iodophenanthrene-3-carbonyl chloride has a molecular weight of 366.59 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodophenanthrene-3-carbonyl chloride is sourced from PubChem (CID 125490038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).