2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one

C15H21IO2 — CID 43339711

IUPAC2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one
SMILESCCCCC(CC)C(=O)c1cc(I)ccc1OC
InChIInChI=1S/C15H21IO2/c1-4-6-7-11(5-2)15(17)13-10-12(16)8-9-14(13)18-3/h8-11H,4-7H2,1-3H3
InChIKeyCSAAYECYWUHPKB-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.70
Rot. Bonds7

About 2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one

2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one (PubChem CID 43339711) has the molecular formula C15H21IO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one
PubChem CID43339711
Molecular FormulaC15H21IO2
Molecular Weight360.24 g/mol
Exact Mass360.06
IUPAC Name2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one
SMILESCCCCC(CC)C(=O)c1cc(I)ccc1OC
InChIInChI=1S/C15H21IO2/c1-4-6-7-11(5-2)15(17)13-10-12(16)8-9-14(13)18-3/h8-11H,4-7H2,1-3H3
InChIKeyCSAAYECYWUHPKB-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one
CID 55196017
1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43161666
N-butyl-5-iodo-2-methoxybenzamide
CID 132553879
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-one
CID 43161797
2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one
CID 146008444
1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one
CID 146006121
2-(hydroxymethyl)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-one
CID 116923029
1-(2-chlorophenyl)-2-ethylhexan-1-one
CID 114963301
2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one
CID 43162108
N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide
CID 88915095
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
[2-(2-ethylhexanoyloxy)phenyl] 2-ethylhexanoate
CID 122421017

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one?
The IUPAC name of 2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one (CID 43339711) is 2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one.
What is the SMILES notation for 2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one?
The canonical SMILES for 2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one is CCCCC(CC)C(=O)c1cc(I)ccc1OC.
What is the InChIKey of 2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one?
The InChIKey is CSAAYECYWUHPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IO2/c1-4-6-7-11(5-2)15(17)13-10-12(16)8-9-14(13)18-3/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one?
2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one has a molecular weight of 360.24 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one is sourced from PubChem (CID 43339711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).