[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene

C15H21IO2 — CID 114774282

IUPAC[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
SMILESCOC1CCCC(OC(CI)c2ccccc2)C1
InChIInChI=1S/C15H21IO2/c1-17-13-8-5-9-14(10-13)18-15(11-16)12-6-3-2-4-7-12/h2-4,6-7,13-15H,5,8-11H2,1H3
InChIKeyDJAYZCZAZYIHFE-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.14
Rot. Bonds5

About [2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene

[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene (PubChem CID 114774282) has the molecular formula C15H21IO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is [2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene.

Molecular Properties

Compound Name[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
PubChem CID114774282
Molecular FormulaC15H21IO2
Molecular Weight360.24 g/mol
Exact Mass360.06
IUPAC Name[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
SMILESCOC1CCCC(OC(CI)c2ccccc2)C1
InChIInChI=1S/C15H21IO2/c1-17-13-8-5-9-14(10-13)18-15(11-16)12-6-3-2-4-7-12/h2-4,6-7,13-15H,5,8-11H2,1H3
InChIKeyDJAYZCZAZYIHFE-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.14
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-bromo-3-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774280
1-fluoro-3-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774271
1-chloro-2-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774288
1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene
CID 114773618
1-chloro-4-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773972
[2-iodo-1-(4-methylphenyl)ethoxy]cycloheptane
CID 114773753
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773973
3-cyclopentyloxy-3-phenylpropan-1-amine
CID 115001323
3-cyclohexyloxy-3-phenylpropan-1-amine
CID 115002872
3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
CID 104591432
1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772471
1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772493

Frequently Asked Questions

What is the IUPAC name of [2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene?
The IUPAC name of [2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene (CID 114774282) is [2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene.
What is the SMILES notation for [2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene?
The canonical SMILES for [2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene is COC1CCCC(OC(CI)c2ccccc2)C1.
What is the InChIKey of [2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene?
The InChIKey is DJAYZCZAZYIHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IO2/c1-17-13-8-5-9-14(10-13)18-15(11-16)12-6-3-2-4-7-12/h2-4,6-7,13-15H,5,8-11H2,1H3.
What are the key properties of [2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene?
[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene has a molecular weight of 360.24 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene is sourced from PubChem (CID 114774282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).