2-[4-(3-hydroxyphenyl)phenyl]acetonitrile

C14H11NO — CID 70503245

IUPAC2-[4-(3-hydroxyphenyl)phenyl]acetonitrile
SMILESN#CCc1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C14H11NO/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h1-7,10,16H,8H2
InChIKeyGNCOCLXKTBEUPT-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.13
Rot. Bonds2

About 2-[4-(3-hydroxyphenyl)phenyl]acetonitrile

2-[4-(3-hydroxyphenyl)phenyl]acetonitrile (PubChem CID 70503245) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[4-(3-hydroxyphenyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-hydroxyphenyl)phenyl]acetonitrile
PubChem CID70503245
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2-[4-(3-hydroxyphenyl)phenyl]acetonitrile
SMILESN#CCc1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C14H11NO/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h1-7,10,16H,8H2
InChIKeyGNCOCLXKTBEUPT-UHFFFAOYSA-N
XLogP3.13
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(aminomethyl)phenyl]phenol
CID 82038924
2-(4-hydroxyphenyl)acetonitrile
CID 26548
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
2-[3-(4-chlorophenyl)phenyl]acetonitrile
CID 22371480
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
octalen-2-ol
CID 174999308
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
3-(4-chlorophenyl)phenol
CID 3015395
[4-[4-(cyanomethyl)phenyl]phenyl]boronic acid
CID 163815966
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-(4-nitrophenyl)phenol
CID 15743438
2-(3-naphthalen-2-ylphenyl)acetonitrile
CID 118847574

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyphenyl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(3-hydroxyphenyl)phenyl]acetonitrile (CID 70503245) is 2-[4-(3-hydroxyphenyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(3-hydroxyphenyl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(3-hydroxyphenyl)phenyl]acetonitrile is N#CCc1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 2-[4-(3-hydroxyphenyl)phenyl]acetonitrile?
The InChIKey is GNCOCLXKTBEUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h1-7,10,16H,8H2.
What are the key properties of 2-[4-(3-hydroxyphenyl)phenyl]acetonitrile?
2-[4-(3-hydroxyphenyl)phenyl]acetonitrile has a molecular weight of 209.25 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyphenyl)phenyl]acetonitrile is sourced from PubChem (CID 70503245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).