1-(4-iodophenyl)-5-phenoxypentan-1-one

C17H17IO2 — CID 86194293

IUPAC1-(4-iodophenyl)-5-phenoxypentan-1-one
SMILESO=C(CCCCOc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C17H17IO2/c18-15-11-9-14(10-12-15)17(19)8-4-5-13-20-16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13H2
InChIKeyDKEHZQMNFJJVHI-UHFFFAOYSA-N
MW380.22 g/mol
LogP4.72
Rot. Bonds7

About 1-(4-iodophenyl)-5-phenoxypentan-1-one

1-(4-iodophenyl)-5-phenoxypentan-1-one (PubChem CID 86194293) has the molecular formula C17H17IO2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 1-(4-iodophenyl)-5-phenoxypentan-1-one.

Molecular Properties

Compound Name1-(4-iodophenyl)-5-phenoxypentan-1-one
PubChem CID86194293
Molecular FormulaC17H17IO2
Molecular Weight380.22 g/mol
Exact Mass380.03
IUPAC Name1-(4-iodophenyl)-5-phenoxypentan-1-one
SMILESO=C(CCCCOc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C17H17IO2/c18-15-11-9-14(10-12-15)17(19)8-4-5-13-20-16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13H2
InChIKeyDKEHZQMNFJJVHI-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-iodophenoxy)pentanoic acid
CID 22915460
1-iodo-4-(3-phenoxypropoxy)benzene
CID 60665273
7-chloro-1-(4-iodophenyl)heptan-1-one
CID 24723863
6-chloro-1-(4-iodophenyl)hexan-1-one
CID 24723862
9-phenoxynonanoic acid
CID 15887638
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
phenyl 5-phenoxypentanoate
CID 54534861
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
1,15-diphenylpentadecane-1,15-dione
CID 159981687
amino 9-(4-iodophenyl)-9-oxononanoate
CID 174840232
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
methyl 11-(4-iodophenoxy)undecanoate
CID 58773804

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-5-phenoxypentan-1-one?
The IUPAC name of 1-(4-iodophenyl)-5-phenoxypentan-1-one (CID 86194293) is 1-(4-iodophenyl)-5-phenoxypentan-1-one.
What is the SMILES notation for 1-(4-iodophenyl)-5-phenoxypentan-1-one?
The canonical SMILES for 1-(4-iodophenyl)-5-phenoxypentan-1-one is O=C(CCCCOc1ccccc1)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-5-phenoxypentan-1-one?
The InChIKey is DKEHZQMNFJJVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO2/c18-15-11-9-14(10-12-15)17(19)8-4-5-13-20-16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13H2.
What are the key properties of 1-(4-iodophenyl)-5-phenoxypentan-1-one?
1-(4-iodophenyl)-5-phenoxypentan-1-one has a molecular weight of 380.22 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-5-phenoxypentan-1-one is sourced from PubChem (CID 86194293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).