2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene

C16H23IO — CID 142666822

IUPAC2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene
SMILESICC1(CCOCc2ccccc2)CCCCC1
InChIInChI=1S/C16H23IO/c17-14-16(9-5-2-6-10-16)11-12-18-13-15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyPBLPRPHMMGLSOX-UHFFFAOYSA-N
MW358.26 g/mol
LogP4.98
Rot. Bonds6

About 2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene

2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene (PubChem CID 142666822) has the molecular formula C16H23IO and a molecular weight of 358.26 g/mol. Its IUPAC name is 2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene.

Molecular Properties

Compound Name2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene
PubChem CID142666822
Molecular FormulaC16H23IO
Molecular Weight358.26 g/mol
Exact Mass358.08
IUPAC Name2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene
SMILESICC1(CCOCc2ccccc2)CCCCC1
InChIInChI=1S/C16H23IO/c17-14-16(9-5-2-6-10-16)11-12-18-13-15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyPBLPRPHMMGLSOX-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-phenylmethoxyethyl)cyclohexyl]ethanol
CID 59714985
2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 142703154
[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
CID 11264817
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
2-methyl-2-(2-phenylmethoxyethyl)oxolane
CID 151587954
2-iodoethoxymethylbenzene
CID 10355314
2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate
CID 143322781
(2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol
CID 131850860
(2S)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-one
CID 11379955
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
(2S)-2-methyl-2-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 102124068

Frequently Asked Questions

What is the IUPAC name of 2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene?
The IUPAC name of 2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene (CID 142666822) is 2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene.
What is the SMILES notation for 2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene?
The canonical SMILES for 2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene is ICC1(CCOCc2ccccc2)CCCCC1.
What is the InChIKey of 2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene?
The InChIKey is PBLPRPHMMGLSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IO/c17-14-16(9-5-2-6-10-16)11-12-18-13-15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2.
What are the key properties of 2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene?
2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene has a molecular weight of 358.26 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene is sourced from PubChem (CID 142666822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).