3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile

C14H17NO2 — CID 153142202

IUPAC3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile
SMILESCOC(CC#N)c1cccc(OCC2CC2)c1
InChIInChI=1S/C14H17NO2/c1-16-14(7-8-15)12-3-2-4-13(9-12)17-10-11-5-6-11/h2-4,9,11,14H,5-7,10H2,1H3
InChIKeyVYVKKXDXUIYGFZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.08
Rot. Bonds6

About 3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile

3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile (PubChem CID 153142202) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile.

Molecular Properties

Compound Name3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile
PubChem CID153142202
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile
SMILESCOC(CC#N)c1cccc(OCC2CC2)c1
InChIInChI=1S/C14H17NO2/c1-16-14(7-8-15)12-3-2-4-13(9-12)17-10-11-5-6-11/h2-4,9,11,14H,5-7,10H2,1H3
InChIKeyVYVKKXDXUIYGFZ-UHFFFAOYSA-N
XLogP3.08
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
CID 170002396
(3R)-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]butanenitrile
CID 142337629
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
(1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride
CID 70655533
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
3-[3-(cyclopropylmethoxy)phenyl]butanal
CID 117311168
1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 142795569
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
(3R)-3-(3-methoxyphenyl)butanenitrile
CID 102340141
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methylcyclohexyl)methoxy]phenyl]prop-2-enenitrile
CID 170147982
(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929329

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile?
The IUPAC name of 3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile (CID 153142202) is 3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile.
What is the SMILES notation for 3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile?
The canonical SMILES for 3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile is COC(CC#N)c1cccc(OCC2CC2)c1.
What is the InChIKey of 3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile?
The InChIKey is VYVKKXDXUIYGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-16-14(7-8-15)12-3-2-4-13(9-12)17-10-11-5-6-11/h2-4,9,11,14H,5-7,10H2,1H3.
What are the key properties of 3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile?
3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile has a molecular weight of 231.30 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile is sourced from PubChem (CID 153142202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).