1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene

C22H28IO2- — CID 59503192

IUPAC1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene
SMILESCC(OCCC1CCCCC1)Oc1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C22H28IO2/c1-18(24-17-16-19-8-4-2-5-9-19)25-22-14-12-21(13-15-22)23-20-10-6-3-7-11-20/h3,6-7,10-15,18-19H,2,4-5,8-9,16-17H2,1H3/q-1
InChIKeyDCBHPCUEGXWQGC-UHFFFAOYSA-N
MW451.37 g/mol
LogP2.53
Rot. Bonds8

About 1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene

1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene (PubChem CID 59503192) has the molecular formula C22H28IO2- and a molecular weight of 451.37 g/mol. Its IUPAC name is 1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene.

Molecular Properties

Compound Name1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene
PubChem CID59503192
Molecular FormulaC22H28IO2-
Molecular Weight451.37 g/mol
Exact Mass451.11
IUPAC Name1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene
SMILESCC(OCCC1CCCCC1)Oc1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C22H28IO2/c1-18(24-17-16-19-8-4-2-5-9-19)25-22-14-12-21(13-15-22)23-20-10-6-3-7-11-20/h3,6-7,10-15,18-19H,2,4-5,8-9,16-17H2,1H3/q-1
InChIKeyDCBHPCUEGXWQGC-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene
CID 123347568
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
2-(2-cyclohexylethoxy)propoxybenzene
CID 71174964
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(2-methylhexan-3-yl)benzene
CID 123909741
[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl] 2-ethyl-2,4,4-trimethylpentanoate;ethane
CID 144740755
1-(2-bromoethoxy)ethoxybenzene
CID 69208548
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene
CID 140648633
2-propan-2-yloxyethylcycloheptane
CID 123201160
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 123766383
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexylsulfanylethoxy)ethoxy]benzene;tris(4-butan-2-ylphenol);bis((4-butan-2-ylphenyl) acetate);1-butan-2-yl-4-(1-phenylmethoxyethoxy)benzene
CID 158900602
1-[1-(2-cyclohexylethoxy)ethoxy]-4-ethenylbenzene;1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-(1-ethoxypropoxy)benzene;1-ethenyl-4-(methoxymethoxy)benzene;1-ethenyl-4-[1-(2-methylpropoxy)ethoxy]benzene;1-ethenyl-4-[1-(2-phenylethoxy)ethoxy]benzene
CID 158031559
1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene?
The IUPAC name of 1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene (CID 59503192) is 1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene.
What is the SMILES notation for 1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene?
The canonical SMILES for 1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene is CC(OCCC1CCCCC1)Oc1ccc([I-]c2ccccc2)cc1.
What is the InChIKey of 1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene?
The InChIKey is DCBHPCUEGXWQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28IO2/c1-18(24-17-16-19-8-4-2-5-9-19)25-22-14-12-21(13-15-22)23-20-10-6-3-7-11-20/h3,6-7,10-15,18-19H,2,4-5,8-9,16-17H2,1H3/q-1.
What are the key properties of 1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene?
1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene has a molecular weight of 451.37 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene is sourced from PubChem (CID 59503192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).