2-(3-ethoxyphenyl)propanenitrile

C11H13NO — CID 130134984

IUPAC2-(3-ethoxyphenyl)propanenitrile
SMILESCCOc1cccc(C(C)C#N)c1
InChIInChI=1S/C11H13NO/c1-3-13-11-6-4-5-10(7-11)9(2)8-12/h4-7,9H,3H2,1-2H3
InChIKeyOAJRKGDQVHQQKN-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.71
Rot. Bonds3

About 2-(3-ethoxyphenyl)propanenitrile

2-(3-ethoxyphenyl)propanenitrile (PubChem CID 130134984) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)propanenitrile
PubChem CID130134984
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(3-ethoxyphenyl)propanenitrile
SMILESCCOc1cccc(C(C)C#N)c1
InChIInChI=1S/C11H13NO/c1-3-13-11-6-4-5-10(7-11)9(2)8-12/h4-7,9H,3H2,1-2H3
InChIKeyOAJRKGDQVHQQKN-UHFFFAOYSA-N
XLogP2.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 54887188
(2S)-2-(3-phenoxyphenyl)propanenitrile
CID 90362403
2-(3-ethoxyphenyl)-2-(propylamino)acetonitrile
CID 60873158
2-(3-ethoxyphenyl)-4-oxopentanenitrile
CID 175669256
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
2-[3-(4-methoxyphenoxy)phenyl]propanenitrile
CID 165348028
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
chloro-(3-ethoxyphenyl)methanol
CID 141156919
2-(4-bromoanilino)-2-(3-ethoxyphenyl)acetonitrile
CID 60988045
2-(cyclohexylamino)-2-(3-ethoxyphenyl)acetonitrile
CID 54894477
2-[[cyano-(3-ethoxyphenyl)methyl]-methylamino]acetic acid
CID 84757529
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)propanenitrile?
The IUPAC name of 2-(3-ethoxyphenyl)propanenitrile (CID 130134984) is 2-(3-ethoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3-ethoxyphenyl)propanenitrile?
The canonical SMILES for 2-(3-ethoxyphenyl)propanenitrile is CCOc1cccc(C(C)C#N)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)propanenitrile?
The InChIKey is OAJRKGDQVHQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-13-11-6-4-5-10(7-11)9(2)8-12/h4-7,9H,3H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)propanenitrile?
2-(3-ethoxyphenyl)propanenitrile has a molecular weight of 175.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)propanenitrile is sourced from PubChem (CID 130134984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).