1-(3-iodo-2-methoxypropyl)-4-methoxybenzene

C11H15IO2 — CID 131862517

IUPAC1-(3-iodo-2-methoxypropyl)-4-methoxybenzene
SMILESCOc1ccc(CC(CI)OC)cc1
InChIInChI=1S/C11H15IO2/c1-13-10-5-3-9(4-6-10)7-11(8-12)14-2/h3-6,11H,7-8H2,1-2H3
InChIKeyZDRNTJYNVJQAKK-UHFFFAOYSA-N
MW306.14 g/mol
LogP2.69
Rot. Bonds5

About 1-(3-iodo-2-methoxypropyl)-4-methoxybenzene

1-(3-iodo-2-methoxypropyl)-4-methoxybenzene (PubChem CID 131862517) has the molecular formula C11H15IO2 and a molecular weight of 306.14 g/mol. Its IUPAC name is 1-(3-iodo-2-methoxypropyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3-iodo-2-methoxypropyl)-4-methoxybenzene
PubChem CID131862517
Molecular FormulaC11H15IO2
Molecular Weight306.14 g/mol
Exact Mass306.01
IUPAC Name1-(3-iodo-2-methoxypropyl)-4-methoxybenzene
SMILESCOc1ccc(CC(CI)OC)cc1
InChIInChI=1S/C11H15IO2/c1-13-10-5-3-9(4-6-10)7-11(8-12)14-2/h3-6,11H,7-8H2,1-2H3
InChIKeyZDRNTJYNVJQAKK-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 52.69
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'}

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Related Compounds

1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
1-[[(2S)-1-iodo-3-methylbutan-2-yl]oxymethyl]-4-methoxybenzene
CID 101441058
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
1-(2,3-diethoxy-3-methoxypropyl)-4-methoxybenzene
CID 19891142
1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene
CID 130301426
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
1-(4-iodophenyl)-2-(4-methoxyphenyl)ethanol
CID 55149346
1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene
CID 86103111
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437164
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-2-methoxypropyl)-4-methoxybenzene?
The IUPAC name of 1-(3-iodo-2-methoxypropyl)-4-methoxybenzene (CID 131862517) is 1-(3-iodo-2-methoxypropyl)-4-methoxybenzene.
What is the SMILES notation for 1-(3-iodo-2-methoxypropyl)-4-methoxybenzene?
The canonical SMILES for 1-(3-iodo-2-methoxypropyl)-4-methoxybenzene is COc1ccc(CC(CI)OC)cc1.
What is the InChIKey of 1-(3-iodo-2-methoxypropyl)-4-methoxybenzene?
The InChIKey is ZDRNTJYNVJQAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2/c1-13-10-5-3-9(4-6-10)7-11(8-12)14-2/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 1-(3-iodo-2-methoxypropyl)-4-methoxybenzene?
1-(3-iodo-2-methoxypropyl)-4-methoxybenzene has a molecular weight of 306.14 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-2-methoxypropyl)-4-methoxybenzene is sourced from PubChem (CID 131862517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).