6-chloro-8-iodo-1-phenylnon-8-en-3-one

C15H18ClIO — CID 122389524

IUPAC6-chloro-8-iodo-1-phenylnon-8-en-3-one
SMILESC=C(I)CC(Cl)CCC(=O)CCc1ccccc1
InChIInChI=1S/C15H18ClIO/c1-12(17)11-14(16)8-10-15(18)9-7-13-5-3-2-4-6-13/h2-6,14H,1,7-11H2
InChIKeyYAHMECPXRYVGDI-UHFFFAOYSA-N
MW376.67 g/mol
LogP4.91
Rot. Bonds8

About 6-chloro-8-iodo-1-phenylnon-8-en-3-one

6-chloro-8-iodo-1-phenylnon-8-en-3-one (PubChem CID 122389524) has the molecular formula C15H18ClIO and a molecular weight of 376.67 g/mol. Its IUPAC name is 6-chloro-8-iodo-1-phenylnon-8-en-3-one.

Molecular Properties

Compound Name6-chloro-8-iodo-1-phenylnon-8-en-3-one
PubChem CID122389524
Molecular FormulaC15H18ClIO
Molecular Weight376.67 g/mol
Exact Mass376.01
IUPAC Name6-chloro-8-iodo-1-phenylnon-8-en-3-one
SMILESC=C(I)CC(Cl)CCC(=O)CCc1ccccc1
InChIInChI=1S/C15H18ClIO/c1-12(17)11-14(16)8-10-15(18)9-7-13-5-3-2-4-6-13/h2-6,14H,1,7-11H2
InChIKeyYAHMECPXRYVGDI-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.67
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,6-diphenylhexane-1,4-dione
CID 70896086
methyl 5-oxo-2,7-diphenylheptanoate
CID 177492008
3,5-dichloro-1,7-diphenylheptan-4-one
CID 56634500
7-chloro-1-phenylheptan-3-one
CID 57471587
1-phenyl-5-(trifluoromethyl)hex-5-en-3-one
CID 162540058
benzoyl iodide;3-phenylpropanoic acid
CID 143765725
8-methyl-1-phenyl-7-propan-2-ylnonan-3-one
CID 167622753
5-methyl-1-phenyloctan-3-one
CID 62622474
dichloromethyl 3-phenylpropanoate
CID 174396202
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
5-fluoro-1-phenylheptan-3-one
CID 134845186
6-amino-5-methyl-1-phenylhexan-3-one
CID 116596581

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-iodo-1-phenylnon-8-en-3-one?
The IUPAC name of 6-chloro-8-iodo-1-phenylnon-8-en-3-one (CID 122389524) is 6-chloro-8-iodo-1-phenylnon-8-en-3-one.
What is the SMILES notation for 6-chloro-8-iodo-1-phenylnon-8-en-3-one?
The canonical SMILES for 6-chloro-8-iodo-1-phenylnon-8-en-3-one is C=C(I)CC(Cl)CCC(=O)CCc1ccccc1.
What is the InChIKey of 6-chloro-8-iodo-1-phenylnon-8-en-3-one?
The InChIKey is YAHMECPXRYVGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClIO/c1-12(17)11-14(16)8-10-15(18)9-7-13-5-3-2-4-6-13/h2-6,14H,1,7-11H2.
What are the key properties of 6-chloro-8-iodo-1-phenylnon-8-en-3-one?
6-chloro-8-iodo-1-phenylnon-8-en-3-one has a molecular weight of 376.67 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-iodo-1-phenylnon-8-en-3-one is sourced from PubChem (CID 122389524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).