1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene

C20H24IO- — CID 59503209

IUPAC1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene
SMILESCCC1(Oc2ccc([I-]c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C20H24IO/c1-2-20(15-7-4-8-16-20)22-19-13-11-18(12-14-19)21-17-9-5-3-6-10-17/h3,5-6,9-14H,2,4,7-8,15-16H2,1H3/q-1
InChIKeyDCFGABCDRPXAAN-UHFFFAOYSA-N
MW407.31 g/mol
LogP2.31
Rot. Bonds5

About 1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene

1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene (PubChem CID 59503209) has the molecular formula C20H24IO- and a molecular weight of 407.31 g/mol. Its IUPAC name is 1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene.

Molecular Properties

Compound Name1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene
PubChem CID59503209
Molecular FormulaC20H24IO-
Molecular Weight407.31 g/mol
Exact Mass407.09
IUPAC Name1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene
SMILESCCC1(Oc2ccc([I-]c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C20H24IO/c1-2-20(15-7-4-8-16-20)22-19-13-11-18(12-14-19)21-17-9-5-3-6-10-17/h3,5-6,9-14H,2,4,7-8,15-16H2,1H3/q-1
InChIKeyDCFGABCDRPXAAN-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 52.31
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

[1-(4-ethylphenoxy)cyclohexyl]methanamine
CID 82129126
(1-phenoxycyclohexyl)phosphane
CID 175047235
1-methyl-1-phenoxycycloheptane
CID 101026780
1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene
CID 134838310
[4-(1-ethylcyclopentyl)oxy-3-fluorophenyl]-diphenylsulfanium
CID 170523471
butyl 3-(1-phenoxycyclohexyl)prop-1-ynyl sulfite
CID 174762814
1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene
CID 59503192
1-ethyl-1-methoxycyclohexane
CID 21039859
1-cycloheptyl-1-phenoxycycloheptane
CID 174805076
[1-(3-ethoxyphenoxy)cyclohexyl]methanamine
CID 94689943
carbanide;ethane;methane;phenyliodanuidylbenzene
CID 158138058
[4-(1-ethylcyclobutyl)oxy-3-fluorophenyl]-diphenylsulfanium
CID 170523414

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene?
The IUPAC name of 1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene (CID 59503209) is 1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene.
What is the SMILES notation for 1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene?
The canonical SMILES for 1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene is CCC1(Oc2ccc([I-]c3ccccc3)cc2)CCCCC1.
What is the InChIKey of 1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene?
The InChIKey is DCFGABCDRPXAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24IO/c1-2-20(15-7-4-8-16-20)22-19-13-11-18(12-14-19)21-17-9-5-3-6-10-17/h3,5-6,9-14H,2,4,7-8,15-16H2,1H3/q-1.
What are the key properties of 1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene?
1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene has a molecular weight of 407.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclohexyl)oxy-4-phenyliodanuidylbenzene is sourced from PubChem (CID 59503209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).