4-cyclopentyloxy-3-methylbenzonitrile

C13H15NO — CID 60929177

IUPAC4-cyclopentyloxy-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1OC1CCCC1
InChIInChI=1S/C13H15NO/c1-10-8-11(9-14)6-7-13(10)15-12-4-2-3-5-12/h6-8,12H,2-5H2,1H3
InChIKeyYZIMCRRVASVRTM-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.19
Rot. Bonds2

About 4-cyclopentyloxy-3-methylbenzonitrile

4-cyclopentyloxy-3-methylbenzonitrile (PubChem CID 60929177) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-methylbenzonitrile.

Molecular Properties

Compound Name4-cyclopentyloxy-3-methylbenzonitrile
PubChem CID60929177
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-cyclopentyloxy-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1OC1CCCC1
InChIInChI=1S/C13H15NO/c1-10-8-11(9-14)6-7-13(10)15-12-4-2-3-5-12/h6-8,12H,2-5H2,1H3
InChIKeyYZIMCRRVASVRTM-UHFFFAOYSA-N
XLogP3.19
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-cyclopentyloxybenzonitrile
CID 58439107
3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol
CID 63214410
4-amino-3-cyclobutyloxybenzonitrile
CID 112623559
4-amino-3-(3-methylcyclohexyl)oxybenzonitrile
CID 113444310
3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile
CID 107659871
3-ethoxy-4-(4-methylcyclohexyl)oxybenzonitrile
CID 64749862
2-chloro-4-cyclohexyloxy-3-methylbenzonitrile
CID 166111908
4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
CID 82935748
4-[(cyclopentylamino)methyl]-3-methylbenzonitrile
CID 114479554
O-(4-cyano-2-cyclopropyloxyphenyl) N-methylcarbamothioate
CID 134374996
4-[[cycloheptyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114481012
3,5-dimethyl-4-(3-oxocyclohexyl)oxybenzonitrile
CID 79625538

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-methylbenzonitrile?
The IUPAC name of 4-cyclopentyloxy-3-methylbenzonitrile (CID 60929177) is 4-cyclopentyloxy-3-methylbenzonitrile.
What is the SMILES notation for 4-cyclopentyloxy-3-methylbenzonitrile?
The canonical SMILES for 4-cyclopentyloxy-3-methylbenzonitrile is Cc1cc(C#N)ccc1OC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-3-methylbenzonitrile?
The InChIKey is YZIMCRRVASVRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-8-11(9-14)6-7-13(10)15-12-4-2-3-5-12/h6-8,12H,2-5H2,1H3.
What are the key properties of 4-cyclopentyloxy-3-methylbenzonitrile?
4-cyclopentyloxy-3-methylbenzonitrile has a molecular weight of 201.27 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-methylbenzonitrile is sourced from PubChem (CID 60929177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).