2-(4-hydroxyphenyl)-4-methoxybutanenitrile

C11H13NO2 — CID 155301992

IUPAC2-(4-hydroxyphenyl)-4-methoxybutanenitrile
SMILESCOCCC(C#N)c1ccc(O)cc1
InChIInChI=1S/C11H13NO2/c1-14-7-6-10(8-12)9-2-4-11(13)5-3-9/h2-5,10,13H,6-7H2,1H3
InChIKeyPKDKGRSXDJFTKN-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.04
Rot. Bonds4

About 2-(4-hydroxyphenyl)-4-methoxybutanenitrile

2-(4-hydroxyphenyl)-4-methoxybutanenitrile (PubChem CID 155301992) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-methoxybutanenitrile.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-methoxybutanenitrile
PubChem CID155301992
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(4-hydroxyphenyl)-4-methoxybutanenitrile
SMILESCOCCC(C#N)c1ccc(O)cc1
InChIInChI=1S/C11H13NO2/c1-14-7-6-10(8-12)9-2-4-11(13)5-3-9/h2-5,10,13H,6-7H2,1H3
InChIKeyPKDKGRSXDJFTKN-UHFFFAOYSA-N
XLogP2.04
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile
CID 64605677
4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol
CID 82982782
[3-cyano-3-(4-methoxyphenyl)propyl] 3-oxobutanoate
CID 54254921
2-(4-methoxyphenyl)-4-(3-methylphenoxy)butanenitrile
CID 82137627
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
3-(4-hydroxy-3-methylphenyl)-2-(4-hydroxyphenyl)propanenitrile
CID 44574976
methyl 4-(4-aminophenyl)-4-cyanobutanoate
CID 102500979
2-(4-methylphenyl)pentanenitrile
CID 82074843
methyl 4-(1-cyanopentyl)benzoate
CID 135008260
2-(4-methoxyphenyl)-5-phenoxypentanenitrile
CID 82137631
2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile
CID 82137632
4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol
CID 82982525

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-methoxybutanenitrile?
The IUPAC name of 2-(4-hydroxyphenyl)-4-methoxybutanenitrile (CID 155301992) is 2-(4-hydroxyphenyl)-4-methoxybutanenitrile.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-methoxybutanenitrile?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-methoxybutanenitrile is COCCC(C#N)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-methoxybutanenitrile?
The InChIKey is PKDKGRSXDJFTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-7-6-10(8-12)9-2-4-11(13)5-3-9/h2-5,10,13H,6-7H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-4-methoxybutanenitrile?
2-(4-hydroxyphenyl)-4-methoxybutanenitrile has a molecular weight of 191.23 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4-methoxybutanenitrile is sourced from PubChem (CID 155301992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).