1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene

C17H25IO2 — CID 114772754

IUPAC1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene
SMILESCCC1CCCCC1OC(CI)c1cccc(OC)c1
InChIInChI=1S/C17H25IO2/c1-3-13-7-4-5-10-16(13)20-17(12-18)14-8-6-9-15(11-14)19-2/h6,8-9,11,13,16-17H,3-5,7,10,12H2,1-2H3
InChIKeyYUBMLSDDCVWOGM-UHFFFAOYSA-N
MW388.29 g/mol
LogP5.16
Rot. Bonds6

About 1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene

1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene (PubChem CID 114772754) has the molecular formula C17H25IO2 and a molecular weight of 388.29 g/mol. Its IUPAC name is 1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene
PubChem CID114772754
Molecular FormulaC17H25IO2
Molecular Weight388.29 g/mol
Exact Mass388.09
IUPAC Name1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene
SMILESCCC1CCCCC1OC(CI)c1cccc(OC)c1
InChIInChI=1S/C17H25IO2/c1-3-13-7-4-5-10-16(13)20-17(12-18)14-8-6-9-15(11-14)19-2/h6,8-9,11,13,16-17H,3-5,7,10,12H2,1-2H3
InChIKeyYUBMLSDDCVWOGM-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.29
LogP ≤ 55.16
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-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene
CID 55192868
1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene
CID 62113881
2-cyclohexyloxy-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 62106648
N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863196
2-(cyclohexylmethoxy)-2-(3-methoxyphenyl)ethanamine
CID 62383844
N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
CID 63863376
N'-(2-ethylcyclopentyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 115704698
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
1-[2-iodo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-methoxybenzene
CID 103405052
1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772471
N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62106084
[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
CID 103729783

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene?
The IUPAC name of 1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene (CID 114772754) is 1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene.
What is the SMILES notation for 1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene?
The canonical SMILES for 1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene is CCC1CCCCC1OC(CI)c1cccc(OC)c1.
What is the InChIKey of 1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene?
The InChIKey is YUBMLSDDCVWOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25IO2/c1-3-13-7-4-5-10-16(13)20-17(12-18)14-8-6-9-15(11-14)19-2/h6,8-9,11,13,16-17H,3-5,7,10,12H2,1-2H3.
What are the key properties of 1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene?
1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene has a molecular weight of 388.29 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene is sourced from PubChem (CID 114772754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).