3-(4-hydroxyphenyl)-3-phenylpropanenitrile

C15H13NO — CID 150364879

IUPAC3-(4-hydroxyphenyl)-3-phenylpropanenitrile
SMILESN#CCC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H13NO/c16-11-10-15(12-4-2-1-3-5-12)13-6-8-14(17)9-7-13/h1-9,15,17H,10H2
InChIKeyGWMJTZLTZXNCAJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.44
Rot. Bonds3

About 3-(4-hydroxyphenyl)-3-phenylpropanenitrile

3-(4-hydroxyphenyl)-3-phenylpropanenitrile (PubChem CID 150364879) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-3-phenylpropanenitrile
PubChem CID150364879
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3-(4-hydroxyphenyl)-3-phenylpropanenitrile
SMILESN#CCC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H13NO/c16-11-10-15(12-4-2-1-3-5-12)13-6-8-14(17)9-7-13/h1-9,15,17H,10H2
InChIKeyGWMJTZLTZXNCAJ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-3-pyridin-3-ylpropanenitrile
CID 12632111
2-hydroxyacetonitrile;phenol
CID 174534012
[(2S)-2-(4-hydroxyphenyl)-2-(4-phenylphenyl)ethyl] thiocyanate
CID 88998657
3-phenyl-3-pyridin-2-ylpropanenitrile
CID 10465646
bis(4-[3-(4-hydroxyphenyl)butan-2-yl]phenol);phenol
CID 161418686
3-(3-hydroxyphenyl)butanenitrile
CID 77440133
phenol;bis(yttrium);dihydrate
CID 168770922
phenol;phenylmethanediol
CID 174902406
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
CID 93003138
(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride
CID 171260279
4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol
CID 168874199

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-3-phenylpropanenitrile?
The IUPAC name of 3-(4-hydroxyphenyl)-3-phenylpropanenitrile (CID 150364879) is 3-(4-hydroxyphenyl)-3-phenylpropanenitrile.
What is the SMILES notation for 3-(4-hydroxyphenyl)-3-phenylpropanenitrile?
The canonical SMILES for 3-(4-hydroxyphenyl)-3-phenylpropanenitrile is N#CCC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-3-phenylpropanenitrile?
The InChIKey is GWMJTZLTZXNCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c16-11-10-15(12-4-2-1-3-5-12)13-6-8-14(17)9-7-13/h1-9,15,17H,10H2.
What are the key properties of 3-(4-hydroxyphenyl)-3-phenylpropanenitrile?
3-(4-hydroxyphenyl)-3-phenylpropanenitrile has a molecular weight of 223.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-3-phenylpropanenitrile is sourced from PubChem (CID 150364879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).