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

C15H10N2O4 — CID 25027688

IUPAC(Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(O)cc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C15H10N2O4/c16-9-12(10-1-4-13(18)5-2-10)7-11-3-6-14(19)8-15(11)17(20)21/h1-8,18-19H/b12-7+
InChIKeyVLCWRPLREQBWBH-KPKJPENVSA-N
MW282.26 g/mol
LogP3.07
Rot. Bonds3

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

(Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile (PubChem CID 25027688) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is (Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile
PubChem CID25027688
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name(Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(O)cc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C15H10N2O4/c16-9-12(10-1-4-13(18)5-2-10)7-11-3-6-14(19)8-15(11)17(20)21/h1-8,18-19H/b12-7+
InChIKeyVLCWRPLREQBWBH-KPKJPENVSA-N
XLogP3.07
TPSA107.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695771
(E)-2-(4-bromophenyl)-3-(2-nitrophenyl)prop-2-enenitrile
CID 75123863
(Z)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 2247731
(E)-3-(2,4-dimethoxy-5-nitrophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 126216435
(Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 1365157
(E)-3-(3,5-dichloro-2-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 22302559
4-(2,2-dibromoethenyl)-3-nitrobenzonitrile
CID 91619868
(E)-3-(3-bromo-2-hydroxy-5-nitrophenyl)-2-(4-chlorophenyl)prop-2-enenitrile
CID 126349843
4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate
CID 7275697
(Z)-3-[5-chloro-2-(2,4-dinitrophenoxy)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 126097214
(Z)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(3-methylphenyl)prop-2-enenitrile
CID 6240715
(Z)-2-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile
CID 8855410

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile (CID 25027688) is (Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(O)cc1[N+](=O)[O-])c1ccc(O)cc1.
What is the InChIKey of (Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile?
The InChIKey is VLCWRPLREQBWBH-KPKJPENVSA-N. The full InChI is InChI=1S/C15H10N2O4/c16-9-12(10-1-4-13(18)5-2-10)7-11-3-6-14(19)8-15(11)17(20)21/h1-8,18-19H/b12-7+.
What are the key properties of (Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile?
(Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile has a molecular weight of 282.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 25027688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).