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

C15H12N2O — CID 18988732

IUPAC(Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H12N2O/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-9,18H,17H2/b13-9+
InChIKeyDBYKLCDLKBKPRF-UKTHLTGXSA-N
MW236.27 g/mol
LogP3.04
Rot. Bonds2

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

(Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile (PubChem CID 18988732) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is (Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile
PubChem CID18988732
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name(Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H12N2O/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-9,18H,17H2/b13-9+
InChIKeyDBYKLCDLKBKPRF-UKTHLTGXSA-N
XLogP3.04
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', '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
4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide
CID 22299045
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
3-(4-bromophenyl)-2-[4-[2-(4-bromophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile
CID 4166227
4-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]benzoic acid
CID 6256221
(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
3-hydroxy-2-(4-hydroxyphenyl)prop-2-enenitrile
CID 68702609
sodium (Z)-2-(3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enenitrile
CID 23089833
(Z)-2-(4-aminophenyl)-3-[4-[2-hydroxyethyl(prop-2-ynyl)amino]phenyl]prop-2-enenitrile
CID 177314203
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile (CID 18988732) is (Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(N)cc1)c1ccc(O)cc1.
What is the InChIKey of (Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile?
The InChIKey is DBYKLCDLKBKPRF-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H12N2O/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-9,18H,17H2/b13-9+.
What are the key properties of (Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile?
(Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile has a molecular weight of 236.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-aminophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 18988732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).