1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide

C11H14I2O — CID 68767832

IUPAC1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide
SMILESCOCc1cc(I)ccc1C1CC1.I
InChIInChI=1S/C11H13IO.HI/c1-13-7-9-6-10(12)4-5-11(9)8-2-3-8;/h4-6,8H,2-3,7H2,1H3;1H
InChIKeyQCMWEAILFPQOGW-UHFFFAOYSA-N
MW416.04 g/mol
LogP3.93
Rot. Bonds3

About 1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide

1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide (PubChem CID 68767832) has the molecular formula C11H14I2O and a molecular weight of 416.04 g/mol. Its IUPAC name is 1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide
PubChem CID68767832
Molecular FormulaC11H14I2O
Molecular Weight416.04 g/mol
Exact Mass415.91
IUPAC Name1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide
SMILESCOCc1cc(I)ccc1C1CC1.I
InChIInChI=1S/C11H13IO.HI/c1-13-7-9-6-10(12)4-5-11(9)8-2-3-8;/h4-6,8H,2-3,7H2,1H3;1H
InChIKeyQCMWEAILFPQOGW-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.04
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide?
The IUPAC name of 1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide (CID 68767832) is 1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide?
The canonical SMILES for 1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide is COCc1cc(I)ccc1C1CC1.I.
What is the InChIKey of 1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide?
The InChIKey is QCMWEAILFPQOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO.HI/c1-13-7-9-6-10(12)4-5-11(9)8-2-3-8;/h4-6,8H,2-3,7H2,1H3;1H.
What are the key properties of 1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide?
1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide has a molecular weight of 416.04 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide is sourced from PubChem (CID 68767832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).