1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene

C15H21IO2 — CID 114773651

IUPAC1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene
SMILESCOc1ccc(COC2(CI)CCCCC2)cc1
InChIInChI=1S/C15H21IO2/c1-17-14-7-5-13(6-8-14)11-18-15(12-16)9-3-2-4-10-15/h5-8H,2-4,9-12H2,1H3
InChIKeyGKDOUZNOCPYPNK-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.35
Rot. Bonds5

About 1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene

1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene (PubChem CID 114773651) has the molecular formula C15H21IO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene
PubChem CID114773651
Molecular FormulaC15H21IO2
Molecular Weight360.24 g/mol
Exact Mass360.06
IUPAC Name1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene
SMILESCOc1ccc(COC2(CI)CCCCC2)cc1
InChIInChI=1S/C15H21IO2/c1-17-14-7-5-13(6-8-14)11-18-15(12-16)9-3-2-4-10-15/h5-8H,2-4,9-12H2,1H3
InChIKeyGKDOUZNOCPYPNK-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.35
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

4-(iodomethyl)-4-[(4-methoxyphenyl)methoxy]oxane
CID 114773658
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate
CID 159308487
(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate
CID 64701200
1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one
CID 66367641
(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate
CID 18404452
1-(bromomethyl)-1-[(4-chlorophenyl)methoxy]cycloheptane
CID 65124429
[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride
CID 173191029
(2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one
CID 11615719

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene?
The IUPAC name of 1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene (CID 114773651) is 1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene?
The canonical SMILES for 1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene is COc1ccc(COC2(CI)CCCCC2)cc1.
What is the InChIKey of 1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene?
The InChIKey is GKDOUZNOCPYPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IO2/c1-17-14-7-5-13(6-8-14)11-18-15(12-16)9-3-2-4-10-15/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene?
1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene has a molecular weight of 360.24 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene is sourced from PubChem (CID 114773651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).