[cyclohexyl(cyclopropylmethoxy)methyl]benzene

C17H24O — CID 145412407

IUPAC[cyclohexyl(cyclopropylmethoxy)methyl]benzene
SMILESc1ccc(C(OCC2CC2)C2CCCCC2)cc1
InChIInChI=1S/C17H24O/c1-3-7-15(8-4-1)17(18-13-14-11-12-14)16-9-5-2-6-10-16/h1,3-4,7-8,14,16-17H,2,5-6,9-13H2
InChIKeyGFNRUFRKWKUODR-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.73
Rot. Bonds5

About [cyclohexyl(cyclopropylmethoxy)methyl]benzene

[cyclohexyl(cyclopropylmethoxy)methyl]benzene (PubChem CID 145412407) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is [cyclohexyl(cyclopropylmethoxy)methyl]benzene.

Molecular Properties

Compound Name[cyclohexyl(cyclopropylmethoxy)methyl]benzene
PubChem CID145412407
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name[cyclohexyl(cyclopropylmethoxy)methyl]benzene
SMILESc1ccc(C(OCC2CC2)C2CCCCC2)cc1
InChIInChI=1S/C17H24O/c1-3-7-15(8-4-1)17(18-13-14-11-12-14)16-9-5-2-6-10-16/h1,3-4,7-8,14,16-17H,2,5-6,9-13H2
InChIKeyGFNRUFRKWKUODR-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[cyclohexyl(propoxy)methyl]benzene
CID 155279791
2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine
CID 24847310
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
[cyclohexyl(methylsulfanyloxy)methyl]benzene
CID 146296998
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
2-(cyclohexylmethoxy)-1-phenylbutan-1-ol
CID 62383401
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
CID 62383534
cyclohexyl(phenyl)methanamine
CID 11064121
(R)-cycloheptyl(phenyl)methanol
CID 94502427

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(cyclopropylmethoxy)methyl]benzene?
The IUPAC name of [cyclohexyl(cyclopropylmethoxy)methyl]benzene (CID 145412407) is [cyclohexyl(cyclopropylmethoxy)methyl]benzene.
What is the SMILES notation for [cyclohexyl(cyclopropylmethoxy)methyl]benzene?
The canonical SMILES for [cyclohexyl(cyclopropylmethoxy)methyl]benzene is c1ccc(C(OCC2CC2)C2CCCCC2)cc1.
What is the InChIKey of [cyclohexyl(cyclopropylmethoxy)methyl]benzene?
The InChIKey is GFNRUFRKWKUODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-7-15(8-4-1)17(18-13-14-11-12-14)16-9-5-2-6-10-16/h1,3-4,7-8,14,16-17H,2,5-6,9-13H2.
What are the key properties of [cyclohexyl(cyclopropylmethoxy)methyl]benzene?
[cyclohexyl(cyclopropylmethoxy)methyl]benzene has a molecular weight of 244.38 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(cyclopropylmethoxy)methyl]benzene is sourced from PubChem (CID 145412407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).