3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile

C15H10ClNO — CID 66746876

IUPAC3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(Cl)cc1)c1cccc(O)c1
InChIInChI=1S/C15H10ClNO/c16-14-6-4-11(5-7-14)8-13(10-17)12-2-1-3-15(18)9-12/h1-9,18H
InChIKeyPYZNHHRDDQXRRA-UHFFFAOYSA-N
MW255.70 g/mol
LogP4.11
Rot. Bonds2

About 3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile

3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile (PubChem CID 66746876) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile
PubChem CID66746876
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(Cl)cc1)c1cccc(O)c1
InChIInChI=1S/C15H10ClNO/c16-14-6-4-11(5-7-14)8-13(10-17)12-2-1-3-15(18)9-12/h1-9,18H
InChIKeyPYZNHHRDDQXRRA-UHFFFAOYSA-N
XLogP4.11
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-chlorophenyl)-1-cyanoethenyl]benzonitrile
CID 3913504
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
(E)-2,3-bis(3-chlorophenyl)prop-2-enenitrile
CID 696997
2-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
CID 912015
(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529295
(Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile
CID 6073171
2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 696764
[4-[(E)-2-(3-chlorophenyl)-2-cyanoethenyl]phenyl] 2,2,2-trichloroacetate
CID 39114006
(E)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile
CID 126376145
2-(4-chlorophenyl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile
CID 3286382
(E)-2-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 124582758
(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 167188628

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile?
The IUPAC name of 3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile (CID 66746876) is 3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile is N#CC(=Cc1ccc(Cl)cc1)c1cccc(O)c1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile?
The InChIKey is PYZNHHRDDQXRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-14-6-4-11(5-7-14)8-13(10-17)12-2-1-3-15(18)9-12/h1-9,18H.
What are the key properties of 3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile?
3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile has a molecular weight of 255.70 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 66746876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).