2-[(2-hydroxyphenyl)methyl]pentanenitrile

C12H15NO — CID 19858494

IUPAC2-[(2-hydroxyphenyl)methyl]pentanenitrile
SMILESCCCC(C#N)Cc1ccccc1O
InChIInChI=1S/C12H15NO/c1-2-5-10(9-13)8-11-6-3-4-7-12(11)14/h3-4,6-7,10,14H,2,5,8H2,1H3
InChIKeyTWNVKOCMBJKDQO-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.87
Rot. Bonds4

About 2-[(2-hydroxyphenyl)methyl]pentanenitrile

2-[(2-hydroxyphenyl)methyl]pentanenitrile (PubChem CID 19858494) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methyl]pentanenitrile.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methyl]pentanenitrile
PubChem CID19858494
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-[(2-hydroxyphenyl)methyl]pentanenitrile
SMILESCCCC(C#N)Cc1ccccc1O
InChIInChI=1S/C12H15NO/c1-2-5-10(9-13)8-11-6-3-4-7-12(11)14/h3-4,6-7,10,14H,2,5,8H2,1H3
InChIKeyTWNVKOCMBJKDQO-UHFFFAOYSA-N
XLogP2.87
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methyl]pentanenitrile?
The IUPAC name of 2-[(2-hydroxyphenyl)methyl]pentanenitrile (CID 19858494) is 2-[(2-hydroxyphenyl)methyl]pentanenitrile.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methyl]pentanenitrile?
The canonical SMILES for 2-[(2-hydroxyphenyl)methyl]pentanenitrile is CCCC(C#N)Cc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methyl]pentanenitrile?
The InChIKey is TWNVKOCMBJKDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-5-10(9-13)8-11-6-3-4-7-12(11)14/h3-4,6-7,10,14H,2,5,8H2,1H3.
What are the key properties of 2-[(2-hydroxyphenyl)methyl]pentanenitrile?
2-[(2-hydroxyphenyl)methyl]pentanenitrile has a molecular weight of 189.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methyl]pentanenitrile is sourced from PubChem (CID 19858494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).