3-[2-(4-hydroxyphenyl)ethyl]benzonitrile

C15H13NO — CID 46195954

IUPAC3-[2-(4-hydroxyphenyl)ethyl]benzonitrile
SMILESN#Cc1cccc(CCc2ccc(O)cc2)c1
InChIInChI=1S/C15H13NO/c16-11-14-3-1-2-13(10-14)5-4-12-6-8-15(17)9-7-12/h1-3,6-10,17H,4-5H2
InChIKeyNOWCRYSDVNBYQT-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.05
Rot. Bonds3

About 3-[2-(4-hydroxyphenyl)ethyl]benzonitrile

3-[2-(4-hydroxyphenyl)ethyl]benzonitrile (PubChem CID 46195954) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[2-(4-hydroxyphenyl)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(4-hydroxyphenyl)ethyl]benzonitrile
PubChem CID46195954
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3-[2-(4-hydroxyphenyl)ethyl]benzonitrile
SMILESN#Cc1cccc(CCc2ccc(O)cc2)c1
InChIInChI=1S/C15H13NO/c16-11-14-3-1-2-13(10-14)5-4-12-6-8-15(17)9-7-12/h1-3,6-10,17H,4-5H2
InChIKeyNOWCRYSDVNBYQT-UHFFFAOYSA-N
XLogP3.05
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-bromophenyl)ethyl]benzonitrile
CID 71384938
3-(2-hydroxyethyl)benzonitrile
CID 14926727
3-propylbenzonitrile
CID 18415311
3-but-3-ynylbenzonitrile
CID 54192305
3-(phosphanylmethyl)benzonitrile
CID 143041927
(3-cyanophenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 7133515
3-[amino(dideuterio)methyl]benzonitrile
CID 175940436
zinc 3-(bromomethyl)benzonitrile
CID 18999076
4-(3-cyanophenyl)-2-methylidenebutanoic acid
CID 68515092
3-(3-cyanophenyl)-N-methylpropanamide
CID 118907091
3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile
CID 70998788
(3-cyanophenyl)methoxy-hydroxy-oxophosphanium
CID 175462274

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyphenyl)ethyl]benzonitrile?
The IUPAC name of 3-[2-(4-hydroxyphenyl)ethyl]benzonitrile (CID 46195954) is 3-[2-(4-hydroxyphenyl)ethyl]benzonitrile.
What is the SMILES notation for 3-[2-(4-hydroxyphenyl)ethyl]benzonitrile?
The canonical SMILES for 3-[2-(4-hydroxyphenyl)ethyl]benzonitrile is N#Cc1cccc(CCc2ccc(O)cc2)c1.
What is the InChIKey of 3-[2-(4-hydroxyphenyl)ethyl]benzonitrile?
The InChIKey is NOWCRYSDVNBYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c16-11-14-3-1-2-13(10-14)5-4-12-6-8-15(17)9-7-12/h1-3,6-10,17H,4-5H2.
What are the key properties of 3-[2-(4-hydroxyphenyl)ethyl]benzonitrile?
3-[2-(4-hydroxyphenyl)ethyl]benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxyphenyl)ethyl]benzonitrile is sourced from PubChem (CID 46195954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).