2-iodo-7-propylphenanthrene

C17H15I — CID 22044694

IUPAC2-iodo-7-propylphenanthrene
SMILESCCCc1ccc2c(ccc3cc(I)ccc32)c1
InChIInChI=1S/C17H15I/c1-2-3-12-4-8-16-13(10-12)5-6-14-11-15(18)7-9-17(14)16/h4-11H,2-3H2,1H3
InChIKeyWNKVHCHVYZAWTC-UHFFFAOYSA-N
MW346.21 g/mol
LogP5.55
Rot. Bonds2

About 2-iodo-7-propylphenanthrene

2-iodo-7-propylphenanthrene (PubChem CID 22044694) has the molecular formula C17H15I and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-iodo-7-propylphenanthrene.

Molecular Properties

Compound Name2-iodo-7-propylphenanthrene
PubChem CID22044694
Molecular FormulaC17H15I
Molecular Weight346.21 g/mol
Exact Mass346.02
IUPAC Name2-iodo-7-propylphenanthrene
SMILESCCCc1ccc2c(ccc3cc(I)ccc32)c1
InChIInChI=1S/C17H15I/c1-2-3-12-4-8-16-13(10-12)5-6-14-11-15(18)7-9-17(14)16/h4-11H,2-3H2,1H3
InChIKeyWNKVHCHVYZAWTC-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-7-propylphenanthrene
CID 141032936
6-iodo-2-propyl-9H-carbazole
CID 139540418
2-propyl-7-(3,4,5-trifluorophenyl)phenanthrene
CID 22044943
2-butyl-6-propylnaphthalene
CID 58232616
2-[2-(4-fluorophenyl)ethynyl]-7-propylphenanthrene
CID 22044919
6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene
CID 70999790
2-butyl-6-propylnaphthalene;propane
CID 123540121
2-methyl-7-propylnaphthalene
CID 59912073
1-bromo-6-propylisoquinoline
CID 82276403
3,6-dipropylnaphthalene-1-sulfonic acid
CID 101322452
1-methyl-7-propylanthracene
CID 174764021
2-(chloromethyl)-6-iodonaphthalene
CID 124706982

Frequently Asked Questions

What is the IUPAC name of 2-iodo-7-propylphenanthrene?
The IUPAC name of 2-iodo-7-propylphenanthrene (CID 22044694) is 2-iodo-7-propylphenanthrene.
What is the SMILES notation for 2-iodo-7-propylphenanthrene?
The canonical SMILES for 2-iodo-7-propylphenanthrene is CCCc1ccc2c(ccc3cc(I)ccc32)c1.
What is the InChIKey of 2-iodo-7-propylphenanthrene?
The InChIKey is WNKVHCHVYZAWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15I/c1-2-3-12-4-8-16-13(10-12)5-6-14-11-15(18)7-9-17(14)16/h4-11H,2-3H2,1H3.
What are the key properties of 2-iodo-7-propylphenanthrene?
2-iodo-7-propylphenanthrene has a molecular weight of 346.21 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7-propylphenanthrene is sourced from PubChem (CID 22044694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).