1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene

C17H19IO2 — CID 89323289

IUPAC1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene
SMILESCCC(c1ccc(OC)cc1)c1ccc(OCI)cc1
InChIInChI=1S/C17H19IO2/c1-3-17(13-4-8-15(19-2)9-5-13)14-6-10-16(11-7-14)20-12-18/h4-11,17H,3,12H2,1-2H3
InChIKeyYNMOFKROWSHOLI-UHFFFAOYSA-N
MW382.24 g/mol
LogP5.01
Rot. Bonds6

About 1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene

1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene (PubChem CID 89323289) has the molecular formula C17H19IO2 and a molecular weight of 382.24 g/mol. Its IUPAC name is 1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene.

Molecular Properties

Compound Name1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene
PubChem CID89323289
Molecular FormulaC17H19IO2
Molecular Weight382.24 g/mol
Exact Mass382.04
IUPAC Name1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene
SMILESCCC(c1ccc(OC)cc1)c1ccc(OCI)cc1
InChIInChI=1S/C17H19IO2/c1-3-17(13-4-8-15(19-2)9-5-13)14-6-10-16(11-7-14)20-12-18/h4-11,17H,3,12H2,1-2H3
InChIKeyYNMOFKROWSHOLI-UHFFFAOYSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.24
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene 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-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
[4-[1-[4-[4-(4-methoxyphenoxy)phenoxy]carbonyloxyphenyl]propyl]phenyl] acetate
CID 58676186
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
2-[4-(1-phenylpropyl)phenoxy]acetic acid
CID 101304213
4,4-bis(4-methoxyphenyl)but-1-en-1-ol
CID 174788315
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
4,4-bis(4-methoxyphenyl)butan-2-amine
CID 12821400

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene?
The IUPAC name of 1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene (CID 89323289) is 1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene.
What is the SMILES notation for 1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene?
The canonical SMILES for 1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene is CCC(c1ccc(OC)cc1)c1ccc(OCI)cc1.
What is the InChIKey of 1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene?
The InChIKey is YNMOFKROWSHOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IO2/c1-3-17(13-4-8-15(19-2)9-5-13)14-6-10-16(11-7-14)20-12-18/h4-11,17H,3,12H2,1-2H3.
What are the key properties of 1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene?
1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene has a molecular weight of 382.24 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene is sourced from PubChem (CID 89323289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).