1-(cyclopentylmethoxy)-2-methylbenzene

C13H18O — CID 59117156

IUPAC1-(cyclopentylmethoxy)-2-methylbenzene
SMILESCc1ccccc1OCC1CCCC1
InChIInChI=1S/C13H18O/c1-11-6-2-5-9-13(11)14-10-12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3
InChIKeyKJSXPQVRZLIQMA-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.56
Rot. Bonds3

About 1-(cyclopentylmethoxy)-2-methylbenzene

1-(cyclopentylmethoxy)-2-methylbenzene (PubChem CID 59117156) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(cyclopentylmethoxy)-2-methylbenzene.

Molecular Properties

Compound Name1-(cyclopentylmethoxy)-2-methylbenzene
PubChem CID59117156
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(cyclopentylmethoxy)-2-methylbenzene
SMILESCc1ccccc1OCC1CCCC1
InChIInChI=1S/C13H18O/c1-11-6-2-5-9-13(11)14-10-12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3
InChIKeyKJSXPQVRZLIQMA-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
3-[(2-methylphenoxy)methyl]oxetane
CID 116820110
3-[(2-methylphenoxy)methyl]-7-oxabicyclo[4.1.0]heptane
CID 23111982
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 124809448
1-(bromomethyl)-2-(cyclopentylmethoxy)benzene
CID 61343019
methyl 4-[(2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110411471
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
2-[(2-methylphenoxy)methyl]cyclopropan-1-amine
CID 112547316
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
2,2-dimethyl-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 110638458
ethane;2-[(2-methylphenoxy)methyl]thiirane
CID 144517451

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethoxy)-2-methylbenzene?
The IUPAC name of 1-(cyclopentylmethoxy)-2-methylbenzene (CID 59117156) is 1-(cyclopentylmethoxy)-2-methylbenzene.
What is the SMILES notation for 1-(cyclopentylmethoxy)-2-methylbenzene?
The canonical SMILES for 1-(cyclopentylmethoxy)-2-methylbenzene is Cc1ccccc1OCC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethoxy)-2-methylbenzene?
The InChIKey is KJSXPQVRZLIQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-11-6-2-5-9-13(11)14-10-12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3.
What are the key properties of 1-(cyclopentylmethoxy)-2-methylbenzene?
1-(cyclopentylmethoxy)-2-methylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethoxy)-2-methylbenzene is sourced from PubChem (CID 59117156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).