[cyclohexyl(propoxy)methyl]benzene

C16H24O — CID 155279791

IUPAC[cyclohexyl(propoxy)methyl]benzene
SMILESCCCOC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H24O/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3
InChIKeyMFTYGXASGCALRA-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.73
Rot. Bonds5

About [cyclohexyl(propoxy)methyl]benzene

[cyclohexyl(propoxy)methyl]benzene (PubChem CID 155279791) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is [cyclohexyl(propoxy)methyl]benzene.

Molecular Properties

Compound Name[cyclohexyl(propoxy)methyl]benzene
PubChem CID155279791
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name[cyclohexyl(propoxy)methyl]benzene
SMILESCCCOC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H24O/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3
InChIKeyMFTYGXASGCALRA-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine
CID 24847310
[cyclohexyl(cyclopropylmethoxy)methyl]benzene
CID 145412407
[cyclohexyl(methylsulfanyloxy)methyl]benzene
CID 146296998
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
CID 67190399
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
3-[(R)-ethoxy(phenyl)methyl]azetidine
CID 71516188
1-propoxyethylcyclopentane
CID 159612357
3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine
CID 57419610
2-[(R)-cyclohexyl-(2-methylphenyl)methoxy]-N,N-diethylethanamine
CID 1203597
2-[pentoxy(phenyl)methyl]oxirane
CID 56615808
1-cyclohexylpentan-2-ylbenzene
CID 139744385

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(propoxy)methyl]benzene?
The IUPAC name of [cyclohexyl(propoxy)methyl]benzene (CID 155279791) is [cyclohexyl(propoxy)methyl]benzene.
What is the SMILES notation for [cyclohexyl(propoxy)methyl]benzene?
The canonical SMILES for [cyclohexyl(propoxy)methyl]benzene is CCCOC(c1ccccc1)C1CCCCC1.
What is the InChIKey of [cyclohexyl(propoxy)methyl]benzene?
The InChIKey is MFTYGXASGCALRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3.
What are the key properties of [cyclohexyl(propoxy)methyl]benzene?
[cyclohexyl(propoxy)methyl]benzene has a molecular weight of 232.37 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(propoxy)methyl]benzene is sourced from PubChem (CID 155279791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).