(Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile

C15H10N2O3 — CID 695771

IUPAC(Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N2O3/c16-10-13(9-11-1-7-15(18)8-2-11)12-3-5-14(6-4-12)17(19)20/h1-9,18H/b13-9+
InChIKeyXQQQEGKTKATSSO-UKTHLTGXSA-N
MW266.26 g/mol
LogP3.36
Rot. Bonds3

About (Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile

(Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile (PubChem CID 695771) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is (Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
PubChem CID695771
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name(Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N2O3/c16-10-13(9-11-1-7-15(18)8-2-11)12-3-5-14(6-4-12)17(19)20/h1-9,18H/b13-9+
InChIKeyXQQQEGKTKATSSO-UKTHLTGXSA-N
XLogP3.36
TPSA87.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2214634
2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2959641
(Z)-2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2214633
(Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 1292563
(Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 977304
2-(4-nitrophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
CID 2952259
(Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile
CID 18988732
(E)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695712
(E)-3-(3-iodophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 126349888
4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide
CID 22299045
(Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile
CID 25027688
(Z)-3-(6-methoxynaphthalen-2-yl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 6213565

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile (CID 695771) is (Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
The InChIKey is XQQQEGKTKATSSO-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H10N2O3/c16-10-13(9-11-1-7-15(18)8-2-11)12-3-5-14(6-4-12)17(19)20/h1-9,18H/b13-9+.
What are the key properties of (Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile?
(Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile has a molecular weight of 266.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile is sourced from PubChem (CID 695771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).