2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile

C17H17NO — CID 69279431

IUPAC2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile
SMILESCC(O)Cc1ccc(-c2ccc(CC#N)cc2)cc1
InChIInChI=1S/C17H17NO/c1-13(19)12-15-4-8-17(9-5-15)16-6-2-14(3-7-16)10-11-18/h2-9,13,19H,10,12H2,1H3
InChIKeyYNCKETJWPHOIKK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.34
Rot. Bonds4

About 2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile

2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile (PubChem CID 69279431) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile
PubChem CID69279431
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile
SMILESCC(O)Cc1ccc(-c2ccc(CC#N)cc2)cc1
InChIInChI=1S/C17H17NO/c1-13(19)12-15-4-8-17(9-5-15)16-6-2-14(3-7-16)10-11-18/h2-9,13,19H,10,12H2,1H3
InChIKeyYNCKETJWPHOIKK-UHFFFAOYSA-N
XLogP3.34
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile
CID 82083442
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
4-(2-hydroxypropyl)benzonitrile
CID 66671297
2-[4-(2-amino-2-hydroxyethyl)phenyl]acetonitrile
CID 70614226
[4-[4-(cyanomethyl)phenyl]phenyl]boronic acid
CID 163815966
5-[4-(2-hydroxypropyl)phenoxy]pentanenitrile
CID 113323096
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
2-[4-(3-hydroxyphenyl)phenyl]acetonitrile
CID 70503245
2-(4-propan-2-ylsulfonylphenyl)acetonitrile
CID 82473214
2-(4-hydroxyphenyl)acetonitrile
CID 26548
2-[4-(cyanomethyl)phenyl]propanoic acid
CID 66893390
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile?
The IUPAC name of 2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile (CID 69279431) is 2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile is CC(O)Cc1ccc(-c2ccc(CC#N)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile?
The InChIKey is YNCKETJWPHOIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13(19)12-15-4-8-17(9-5-15)16-6-2-14(3-7-16)10-11-18/h2-9,13,19H,10,12H2,1H3.
What are the key properties of 2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile?
2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile is sourced from PubChem (CID 69279431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).