1-(4-iodophenyl)-5-methoxyhexan-2-one

C13H17IO2 — CID 105103190

IUPAC1-(4-iodophenyl)-5-methoxyhexan-2-one
SMILESCOC(C)CCC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C13H17IO2/c1-10(16-2)3-8-13(15)9-11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyFUUDEEQWACFYTP-UHFFFAOYSA-N
MW332.18 g/mol
LogP3.22
Rot. Bonds6

About 1-(4-iodophenyl)-5-methoxyhexan-2-one

1-(4-iodophenyl)-5-methoxyhexan-2-one (PubChem CID 105103190) has the molecular formula C13H17IO2 and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-(4-iodophenyl)-5-methoxyhexan-2-one.

Molecular Properties

Compound Name1-(4-iodophenyl)-5-methoxyhexan-2-one
PubChem CID105103190
Molecular FormulaC13H17IO2
Molecular Weight332.18 g/mol
Exact Mass332.03
IUPAC Name1-(4-iodophenyl)-5-methoxyhexan-2-one
SMILESCOC(C)CCC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C13H17IO2/c1-10(16-2)3-8-13(15)9-11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyFUUDEEQWACFYTP-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-5-methoxyhexan-2-one
CID 105081808
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-one
CID 105090002
1-(3,5-difluorophenyl)-5-methoxyhexan-2-one
CID 105412180
3-(4-iodophenyl)-1,1-dimethoxypropan-2-one
CID 79492104
6-bromo-1-(4-iodophenyl)hexan-2-one
CID 157097195
4-amino-1-(4-iodophenyl)-5-methylhexan-2-one
CID 116606384
1-(3-chloro-2-fluorophenyl)-5-methoxyhexan-2-one
CID 102865728
5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one
CID 105118111
1-(4-iodophenyl)-3-methylhexan-2-one
CID 114974127
3-[4-(3-methoxybutyl)phenyl]propanoic acid
CID 117114845
3-ethoxy-1-(4-iodophenyl)butan-2-one
CID 58079389
5-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116571734

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-5-methoxyhexan-2-one?
The IUPAC name of 1-(4-iodophenyl)-5-methoxyhexan-2-one (CID 105103190) is 1-(4-iodophenyl)-5-methoxyhexan-2-one.
What is the SMILES notation for 1-(4-iodophenyl)-5-methoxyhexan-2-one?
The canonical SMILES for 1-(4-iodophenyl)-5-methoxyhexan-2-one is COC(C)CCC(=O)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-5-methoxyhexan-2-one?
The InChIKey is FUUDEEQWACFYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IO2/c1-10(16-2)3-8-13(15)9-11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-5-methoxyhexan-2-one?
1-(4-iodophenyl)-5-methoxyhexan-2-one has a molecular weight of 332.18 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-5-methoxyhexan-2-one is sourced from PubChem (CID 105103190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).