2-(3-ethoxyphenoxy)-5-methylbenzonitrile

C16H15NO2 — CID 107928195

IUPAC2-(3-ethoxyphenoxy)-5-methylbenzonitrile
SMILESCCOc1cccc(Oc2ccc(C)cc2C#N)c1
InChIInChI=1S/C16H15NO2/c1-3-18-14-5-4-6-15(10-14)19-16-8-7-12(2)9-13(16)11-17/h4-10H,3H2,1-2H3
InChIKeyDXCKGQSVFSKIAE-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.06
Rot. Bonds4

About 2-(3-ethoxyphenoxy)-5-methylbenzonitrile

2-(3-ethoxyphenoxy)-5-methylbenzonitrile (PubChem CID 107928195) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-5-methylbenzonitrile
PubChem CID107928195
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(3-ethoxyphenoxy)-5-methylbenzonitrile
SMILESCCOc1cccc(Oc2ccc(C)cc2C#N)c1
InChIInChI=1S/C16H15NO2/c1-3-18-14-5-4-6-15(10-14)19-16-8-7-12(2)9-13(16)11-17/h4-10H,3H2,1-2H3
InChIKeyDXCKGQSVFSKIAE-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(3-methylphenoxy)benzonitrile
CID 107928086
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
2-[3-(2-cyano-4-methylphenoxy)phenyl]acetic acid
CID 107931905
2-(3-ethoxyphenoxy)-4-methylaniline
CID 26189621
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
2-(3-bromophenoxy)-4-methylbenzonitrile
CID 63511715
2-[4-(cyanomethyl)phenoxy]-5-methylbenzonitrile
CID 107928072
2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
CID 62338626
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
3-cyano-4-(3-ethoxyphenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009967

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-5-methylbenzonitrile?
The IUPAC name of 2-(3-ethoxyphenoxy)-5-methylbenzonitrile (CID 107928195) is 2-(3-ethoxyphenoxy)-5-methylbenzonitrile.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-5-methylbenzonitrile?
The canonical SMILES for 2-(3-ethoxyphenoxy)-5-methylbenzonitrile is CCOc1cccc(Oc2ccc(C)cc2C#N)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-5-methylbenzonitrile?
The InChIKey is DXCKGQSVFSKIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-3-18-14-5-4-6-15(10-14)19-16-8-7-12(2)9-13(16)11-17/h4-10H,3H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenoxy)-5-methylbenzonitrile?
2-(3-ethoxyphenoxy)-5-methylbenzonitrile has a molecular weight of 253.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-5-methylbenzonitrile is sourced from PubChem (CID 107928195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).