(9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene

C14H15I — CID 89169979

IUPAC(9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene
SMILESI[C@@H]1CC2=C(CCCC2)c2ccccc21
InChIInChI=1S/C14H15I/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h3-4,7-8,14H,1-2,5-6,9H2/t14-/m1/s1
InChIKeyPAYGQWLFSXEYSG-CQSZACIVSA-N
MW310.18 g/mol
LogP4.89
Rot. Bonds

About (9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene

(9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene (PubChem CID 89169979) has the molecular formula C14H15I and a molecular weight of 310.18 g/mol. Its IUPAC name is (9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene.

Molecular Properties

Compound Name(9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene
PubChem CID89169979
Molecular FormulaC14H15I
Molecular Weight310.18 g/mol
Exact Mass310.02
IUPAC Name(9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene
SMILESI[C@@H]1CC2=C(CCCC2)c2ccccc21
InChIInChI=1S/C14H15I/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h3-4,7-8,14H,1-2,5-6,9H2/t14-/m1/s1
InChIKeyPAYGQWLFSXEYSG-CQSZACIVSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene?
The IUPAC name of (9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene (CID 89169979) is (9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene.
What is the SMILES notation for (9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene?
The canonical SMILES for (9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene is I[C@@H]1CC2=C(CCCC2)c2ccccc21.
What is the InChIKey of (9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene?
The InChIKey is PAYGQWLFSXEYSG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15I/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h3-4,7-8,14H,1-2,5-6,9H2/t14-/m1/s1.
What are the key properties of (9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene?
(9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene has a molecular weight of 310.18 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene is sourced from PubChem (CID 89169979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).