1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide

C11H14I2O — CID 68767831

IUPAC1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
SMILESI.Ic1ccc(COCC2CC2)cc1
InChIInChI=1S/C11H13IO.HI/c12-11-5-3-10(4-6-11)8-13-7-9-1-2-9;/h3-6,9H,1-2,7-8H2;1H
InChIKeyGEUMUXKPOZZQAH-UHFFFAOYSA-N
MW416.04 g/mol
LogP3.84
Rot. Bonds4

About 1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide

1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide (PubChem CID 68767831) has the molecular formula C11H14I2O and a molecular weight of 416.04 g/mol. Its IUPAC name is 1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide.

Molecular Properties

Compound Name1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
PubChem CID68767831
Molecular FormulaC11H14I2O
Molecular Weight416.04 g/mol
Exact Mass415.91
IUPAC Name1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
SMILESI.Ic1ccc(COCC2CC2)cc1
InChIInChI=1S/C11H13IO.HI/c12-11-5-3-10(4-6-11)8-13-7-9-1-2-9;/h3-6,9H,1-2,7-8H2;1H
InChIKeyGEUMUXKPOZZQAH-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.04
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
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1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid
CID 105344863
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
4-(cyclopentylmethoxymethyl)benzonitrile
CID 66323484
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614
1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene
CID 140907989
2-chloro-5-(cyclopropylmethoxymethyl)aniline
CID 43349982
2-bromo-5-(cyclopropylmethoxymethyl)phenol
CID 177057297
1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
CID 65490741

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide?
The IUPAC name of 1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide (CID 68767831) is 1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide.
What is the SMILES notation for 1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide?
The canonical SMILES for 1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide is I.Ic1ccc(COCC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide?
The InChIKey is GEUMUXKPOZZQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO.HI/c12-11-5-3-10(4-6-11)8-13-7-9-1-2-9;/h3-6,9H,1-2,7-8H2;1H.
What are the key properties of 1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide?
1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide has a molecular weight of 416.04 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide is sourced from PubChem (CID 68767831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).