2-[3-(4-methoxyphenoxy)phenyl]propanenitrile

C16H15NO2 — CID 165348028

IUPAC2-[3-(4-methoxyphenoxy)phenyl]propanenitrile
SMILESCOc1ccc(Oc2cccc(C(C)C#N)c2)cc1
InChIInChI=1S/C16H15NO2/c1-12(11-17)13-4-3-5-16(10-13)19-15-8-6-14(18-2)7-9-15/h3-10,12H,1-2H3
InChIKeyDMJGPSMPBCAUAB-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.11
Rot. Bonds4

About 2-[3-(4-methoxyphenoxy)phenyl]propanenitrile

2-[3-(4-methoxyphenoxy)phenyl]propanenitrile (PubChem CID 165348028) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenoxy)phenyl]propanenitrile.

Molecular Properties

Compound Name2-[3-(4-methoxyphenoxy)phenyl]propanenitrile
PubChem CID165348028
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[3-(4-methoxyphenoxy)phenyl]propanenitrile
SMILESCOc1ccc(Oc2cccc(C(C)C#N)c2)cc1
InChIInChI=1S/C16H15NO2/c1-12(11-17)13-4-3-5-16(10-13)19-15-8-6-14(18-2)7-9-15/h3-10,12H,1-2H3
InChIKeyDMJGPSMPBCAUAB-UHFFFAOYSA-N
XLogP4.11
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-phenoxyphenyl)propanenitrile
CID 90362403
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
2-hydroxy-2-[3-(3-methoxyphenoxy)phenyl]acetonitrile
CID 54380272
2-(3-ethoxyphenyl)propanenitrile
CID 130134984
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
CID 129383217
2-amino-2-(3-methoxyphenyl)acetonitrile
CID 13352448
1-[4-(3-methoxyphenoxy)phenyl]ethanol
CID 43506404
(3R)-3-(3-methoxyphenyl)butanenitrile
CID 102340141
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenoxy)phenyl]propanenitrile?
The IUPAC name of 2-[3-(4-methoxyphenoxy)phenyl]propanenitrile (CID 165348028) is 2-[3-(4-methoxyphenoxy)phenyl]propanenitrile.
What is the SMILES notation for 2-[3-(4-methoxyphenoxy)phenyl]propanenitrile?
The canonical SMILES for 2-[3-(4-methoxyphenoxy)phenyl]propanenitrile is COc1ccc(Oc2cccc(C(C)C#N)c2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenoxy)phenyl]propanenitrile?
The InChIKey is DMJGPSMPBCAUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12(11-17)13-4-3-5-16(10-13)19-15-8-6-14(18-2)7-9-15/h3-10,12H,1-2H3.
What are the key properties of 2-[3-(4-methoxyphenoxy)phenyl]propanenitrile?
2-[3-(4-methoxyphenoxy)phenyl]propanenitrile has a molecular weight of 253.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenoxy)phenyl]propanenitrile is sourced from PubChem (CID 165348028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).