4-(2-ethylphenoxy)-3-methylbenzonitrile

C16H15NO — CID 63513090

IUPAC4-(2-ethylphenoxy)-3-methylbenzonitrile
SMILESCCc1ccccc1Oc1ccc(C#N)cc1C
InChIInChI=1S/C16H15NO/c1-3-14-6-4-5-7-16(14)18-15-9-8-13(11-17)10-12(15)2/h4-10H,3H2,1-2H3
InChIKeyKSRKWSQXXNBTHA-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.22
Rot. Bonds3

About 4-(2-ethylphenoxy)-3-methylbenzonitrile

4-(2-ethylphenoxy)-3-methylbenzonitrile (PubChem CID 63513090) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-3-methylbenzonitrile
PubChem CID63513090
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name4-(2-ethylphenoxy)-3-methylbenzonitrile
SMILESCCc1ccccc1Oc1ccc(C#N)cc1C
InChIInChI=1S/C16H15NO/c1-3-14-6-4-5-7-16(14)18-15-9-8-13(11-17)10-12(15)2/h4-10H,3H2,1-2H3
InChIKeyKSRKWSQXXNBTHA-UHFFFAOYSA-N
XLogP4.22
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenoxy)-3-methylbenzonitrile
CID 54934331
4-(2-iodophenoxy)-3-methylbenzonitrile
CID 55219826
4-(2-chlorophenoxy)-3-methylbenzonitrile
CID 54934374
3-[2-(bromomethyl)phenoxy]-4-methylbenzonitrile
CID 107659206
[4-(2-ethylphenoxy)-3-methylphenyl]methanol
CID 62125436
4-(2-ethylphenoxy)-3,5-difluorobenzonitrile
CID 81282911
5-amino-2-(2-ethylphenoxy)benzonitrile
CID 61295805
3-bromo-5-(2-ethylphenoxy)benzonitrile
CID 102817958
4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
CID 143183176
4-(2-amino-4-fluorophenoxy)-3-methylbenzonitrile
CID 62368179
methoxyethane;4-methoxy-3-methylbenzonitrile
CID 142549662
4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile
CID 61313612

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-3-methylbenzonitrile?
The IUPAC name of 4-(2-ethylphenoxy)-3-methylbenzonitrile (CID 63513090) is 4-(2-ethylphenoxy)-3-methylbenzonitrile.
What is the SMILES notation for 4-(2-ethylphenoxy)-3-methylbenzonitrile?
The canonical SMILES for 4-(2-ethylphenoxy)-3-methylbenzonitrile is CCc1ccccc1Oc1ccc(C#N)cc1C.
What is the InChIKey of 4-(2-ethylphenoxy)-3-methylbenzonitrile?
The InChIKey is KSRKWSQXXNBTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-3-14-6-4-5-7-16(14)18-15-9-8-13(11-17)10-12(15)2/h4-10H,3H2,1-2H3.
What are the key properties of 4-(2-ethylphenoxy)-3-methylbenzonitrile?
4-(2-ethylphenoxy)-3-methylbenzonitrile has a molecular weight of 237.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-3-methylbenzonitrile is sourced from PubChem (CID 63513090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).