1-(2-cyclohexylethoxy)-2-iodobenzene

C14H19IO — CID 155907429

IUPAC1-(2-cyclohexylethoxy)-2-iodobenzene
SMILESIc1ccccc1OCCC1CCCCC1
InChIInChI=1S/C14H19IO/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyCCZRJDZDECALPE-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.64
Rot. Bonds4

About 1-(2-cyclohexylethoxy)-2-iodobenzene

1-(2-cyclohexylethoxy)-2-iodobenzene (PubChem CID 155907429) has the molecular formula C14H19IO and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(2-cyclohexylethoxy)-2-iodobenzene.

Molecular Properties

Compound Name1-(2-cyclohexylethoxy)-2-iodobenzene
PubChem CID155907429
Molecular FormulaC14H19IO
Molecular Weight330.21 g/mol
Exact Mass330.05
IUPAC Name1-(2-cyclohexylethoxy)-2-iodobenzene
SMILESIc1ccccc1OCCC1CCCCC1
InChIInChI=1S/C14H19IO/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyCCZRJDZDECALPE-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-cyclohexylethoxy)-2-iodobenzene 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-(cyclopropylmethoxy)-2-iodobenzene
CID 61400120
1-(2-cyclohexylethoxy)-4-methylnaphthalene
CID 123891413
7-(2-cyclohexylethoxy)-5-fluoro-1H-indole
CID 175867004
2-chloro-6-(2-cyclohexylethoxy)benzonitrile
CID 114191198
2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
CID 54794930
2-[2-[2-(3-cyclohexylpropanoyloxy)ethoxy]phenoxy]ethyl 3-cyclohexylpropanoate
CID 160894187
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
2-(2-cyclobutylethoxy)-6-propoxyaniline
CID 106199742
1-(8-cyclopentyloctoxy)-2-nonoxybenzene
CID 173313671
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
1-[4-(2-iodophenoxy)butyl]-4-methylpiperidin-1-ium
CID 2269003
2-(2-cyclobutylethoxy)-5-iodoaniline
CID 106199721

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethoxy)-2-iodobenzene?
The IUPAC name of 1-(2-cyclohexylethoxy)-2-iodobenzene (CID 155907429) is 1-(2-cyclohexylethoxy)-2-iodobenzene.
What is the SMILES notation for 1-(2-cyclohexylethoxy)-2-iodobenzene?
The canonical SMILES for 1-(2-cyclohexylethoxy)-2-iodobenzene is Ic1ccccc1OCCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethoxy)-2-iodobenzene?
The InChIKey is CCZRJDZDECALPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IO/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2.
What are the key properties of 1-(2-cyclohexylethoxy)-2-iodobenzene?
1-(2-cyclohexylethoxy)-2-iodobenzene has a molecular weight of 330.21 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethoxy)-2-iodobenzene is sourced from PubChem (CID 155907429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).