1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene

C14H19IO — CID 65491519

IUPAC1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene
SMILESCC1CCC(OCc2ccc(I)cc2)CC1
InChIInChI=1S/C14H19IO/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(15)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3
InChIKeyZRKHHWXLIGIOGN-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.39
Rot. Bonds3

About 1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene

1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene (PubChem CID 65491519) has the molecular formula C14H19IO and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene
PubChem CID65491519
Molecular FormulaC14H19IO
Molecular Weight330.21 g/mol
Exact Mass330.05
IUPAC Name1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene
SMILESCC1CCC(OCc2ccc(I)cc2)CC1
InChIInChI=1S/C14H19IO/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(15)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3
InChIKeyZRKHHWXLIGIOGN-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.39
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-(cyclobutyloxymethyl)-4-iodobenzene
CID 65490740
4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
CID 43185253
3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409439
1-[4-[(4-methylcyclooctyl)oxymethyl]phenyl]propan-2-one
CID 123996807
2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43169048
3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375
(4-phenylmethoxycyclohexyl) 4-methylcyclohexane-1-carboxylate
CID 144529311
4-ethoxy-1-[(4-iodophenyl)methyl]piperidine
CID 65478371
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile
CID 63886173
1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
CID 59265586
N-methyl-4-[(4-methylcyclohexyl)oxymethyl]-2-nitroaniline
CID 62194630

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene?
The IUPAC name of 1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene (CID 65491519) is 1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene.
What is the SMILES notation for 1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene?
The canonical SMILES for 1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene is CC1CCC(OCc2ccc(I)cc2)CC1.
What is the InChIKey of 1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene?
The InChIKey is ZRKHHWXLIGIOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IO/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(15)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3.
What are the key properties of 1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene?
1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene has a molecular weight of 330.21 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene is sourced from PubChem (CID 65491519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).