2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile

C14H10ClNO — CID 101014908

IUPAC2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile
SMILESN#CC(Cl)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H10ClNO/c15-14(10-16,11-4-2-1-3-5-11)12-6-8-13(17)9-7-12/h1-9,17H
InChIKeyRPFDWNVGAMDFQH-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.40
Rot. Bonds2

About 2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile

2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile (PubChem CID 101014908) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile
PubChem CID101014908
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile
SMILESN#CC(Cl)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H10ClNO/c15-14(10-16,11-4-2-1-3-5-11)12-6-8-13(17)9-7-12/h1-9,17H
InChIKeyRPFDWNVGAMDFQH-UHFFFAOYSA-N
XLogP3.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-aminophenyl)-2-chloro-2-phenylacetonitrile
CID 97304016
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
2-methylidenepropanedinitrile;phenol
CID 174971122
4-[difluoro(phenyl)methyl]phenol
CID 83855777
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
(2R)-2-chloro-2-fluoro-2-phenylacetonitrile
CID 26986003
4-[[(4-hydroxyphenyl)-diphenylmethoxy]-diphenylmethyl]phenol
CID 91006849
4-(trichloromethyl)phenol
CID 21200855
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)-3-phenylprop-2-enenitrile
CID 154089927
benzene;formaldehyde;phenol;hydrate
CID 174789223

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile?
The IUPAC name of 2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile (CID 101014908) is 2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile.
What is the SMILES notation for 2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile?
The canonical SMILES for 2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile is N#CC(Cl)(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile?
The InChIKey is RPFDWNVGAMDFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-14(10-16,11-4-2-1-3-5-11)12-6-8-13(17)9-7-12/h1-9,17H.
What are the key properties of 2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile?
2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile has a molecular weight of 243.69 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-hydroxyphenyl)-2-phenylacetonitrile is sourced from PubChem (CID 101014908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).