2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile

C21H17NO — CID 2764122

IUPAC2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c22-15-20(16-7-3-1-4-8-16)17-11-13-19(14-12-17)21(23)18-9-5-2-6-10-18/h1-14,20-21,23H
InChIKeyPNIWDAPCEDFZST-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.42
Rot. Bonds4

About 2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile

2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile (PubChem CID 2764122) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
PubChem CID2764122
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c22-15-20(16-7-3-1-4-8-16)17-11-13-19(14-12-17)21(23)18-9-5-2-6-10-18/h1-14,20-21,23H
InChIKeyPNIWDAPCEDFZST-UHFFFAOYSA-N
XLogP4.42
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodophenyl)-2-phenylacetonitrile
CID 71668972
(2S)-2-(4-iodophenyl)-2-phenylacetonitrile
CID 97184112
2-(4-tert-butylphenyl)-2-phenylacetonitrile
CID 11414012
2-naphthalen-2-yl-2-phenylacetonitrile
CID 44719900
N-[4-[cyano(phenyl)methyl]phenyl]acetamide
CID 2832029
1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol
CID 163739706
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
3-[hydroxy(phenyl)methyl]benzonitrile
CID 19003636
N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide
CID 42959795
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile
CID 14023164
(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
CID 129383217

Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile?
The IUPAC name of 2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile (CID 2764122) is 2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile?
The canonical SMILES for 2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile is N#CC(c1ccccc1)c1ccc(C(O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile?
The InChIKey is PNIWDAPCEDFZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c22-15-20(16-7-3-1-4-8-16)17-11-13-19(14-12-17)21(23)18-9-5-2-6-10-18/h1-14,20-21,23H.
What are the key properties of 2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile?
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile has a molecular weight of 299.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile is sourced from PubChem (CID 2764122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).