[1-(iodomethyl)cyclohexyl]oxymethylbenzene

C14H19IO — CID 114772517

IUPAC[1-(iodomethyl)cyclohexyl]oxymethylbenzene
SMILESICC1(OCc2ccccc2)CCCCC1
InChIInChI=1S/C14H19IO/c15-12-14(9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyXVMUFWWMVUUGDR-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.34
Rot. Bonds4

About [1-(iodomethyl)cyclohexyl]oxymethylbenzene

[1-(iodomethyl)cyclohexyl]oxymethylbenzene (PubChem CID 114772517) has the molecular formula C14H19IO and a molecular weight of 330.21 g/mol. Its IUPAC name is [1-(iodomethyl)cyclohexyl]oxymethylbenzene.

Molecular Properties

Compound Name[1-(iodomethyl)cyclohexyl]oxymethylbenzene
PubChem CID114772517
Molecular FormulaC14H19IO
Molecular Weight330.21 g/mol
Exact Mass330.05
IUPAC Name[1-(iodomethyl)cyclohexyl]oxymethylbenzene
SMILESICC1(OCc2ccccc2)CCCCC1
InChIInChI=1S/C14H19IO/c15-12-14(9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyXVMUFWWMVUUGDR-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-phenylmethoxycycloheptyl)ethanamine
CID 115046142
1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 114773651
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
2-(1-phenylmethoxycyclohexyl)acetaldehyde
CID 115039002
3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene
CID 114773849
(1-phenylmethoxycyclobutyl)methanesulfonyl chloride
CID 115050877
2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene
CID 142666822
tert-butyl 4-(iodomethyl)-4-phenylmethoxypiperidine-1-carboxylate
CID 104969586
1-phenylmethoxycyclopentane-1-carbonitrile
CID 174519506
(3-phenylmethoxypiperidin-3-yl)methanesulfinate
CID 115050188
1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
CID 134987886
[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273

Frequently Asked Questions

What is the IUPAC name of [1-(iodomethyl)cyclohexyl]oxymethylbenzene?
The IUPAC name of [1-(iodomethyl)cyclohexyl]oxymethylbenzene (CID 114772517) is [1-(iodomethyl)cyclohexyl]oxymethylbenzene.
What is the SMILES notation for [1-(iodomethyl)cyclohexyl]oxymethylbenzene?
The canonical SMILES for [1-(iodomethyl)cyclohexyl]oxymethylbenzene is ICC1(OCc2ccccc2)CCCCC1.
What is the InChIKey of [1-(iodomethyl)cyclohexyl]oxymethylbenzene?
The InChIKey is XVMUFWWMVUUGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IO/c15-12-14(9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2.
What are the key properties of [1-(iodomethyl)cyclohexyl]oxymethylbenzene?
[1-(iodomethyl)cyclohexyl]oxymethylbenzene has a molecular weight of 330.21 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(iodomethyl)cyclohexyl]oxymethylbenzene is sourced from PubChem (CID 114772517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).