2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride

C14H18ClNO2 — CID 172691211

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
SMILESCOc1ccc(CC#N)cc1OC1CCCC1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-16-13-7-6-11(8-9-15)10-14(13)17-12-4-2-3-5-12;/h6-7,10,12H,2-5,8H2,1H3;1H
InChIKeyBRXTZJFYJSHCQS-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.50
Rot. Bonds4

About 2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride

2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride (PubChem CID 172691211) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
PubChem CID172691211
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
SMILESCOc1ccc(CC#N)cc1OC1CCCC1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-16-13-7-6-11(8-9-15)10-14(13)17-12-4-2-3-5-12;/h6-7,10,12H,2-5,8H2,1H3;1H
InChIKeyBRXTZJFYJSHCQS-UHFFFAOYSA-N
XLogP3.50
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpropanenitrile
CID 70064225
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
2-(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)acetonitrile
CID 117494859
2-[4-methoxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
CID 66518964
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029
1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene
CID 21221257
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride (CID 172691211) is 2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride is COc1ccc(CC#N)cc1OC1CCCC1.Cl.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride?
The InChIKey is BRXTZJFYJSHCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c1-16-13-7-6-11(8-9-15)10-14(13)17-12-4-2-3-5-12;/h6-7,10,12H,2-5,8H2,1H3;1H.
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride?
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride is sourced from PubChem (CID 172691211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).