(Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile

C28H30N2O2 — CID 24825445

IUPAC(Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile
SMILESCN(C)CCOc1ccc(/C(=C(/CCCC#N)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H30N2O2/c1-30(2)20-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-19-29)22-8-4-3-5-9-22/h3-5,8-9,11-18,31H,6-7,10,20-21H2,1-2H3/b28-27-
InChIKeyHZWPCGJKFLEGFZ-DQSJHHFOSA-N
MW426.56 g/mol
LogP5.99
Rot. Bonds10

About (Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile

(Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile (PubChem CID 24825445) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is (Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile.

Molecular Properties

Compound Name(Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile
PubChem CID24825445
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name(Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile
SMILESCN(C)CCOc1ccc(/C(=C(/CCCC#N)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H30N2O2/c1-30(2)20-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-19-29)22-8-4-3-5-9-22/h3-5,8-9,11-18,31H,6-7,10,20-21H2,1-2H3/b28-27-
InChIKeyHZWPCGJKFLEGFZ-DQSJHHFOSA-N
XLogP5.99
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile?
The IUPAC name of (Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile (CID 24825445) is (Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile.
What is the SMILES notation for (Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile?
The canonical SMILES for (Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile is CN(C)CCOc1ccc(/C(=C(/CCCC#N)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of (Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile?
The InChIKey is HZWPCGJKFLEGFZ-DQSJHHFOSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-30(2)20-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-19-29)22-8-4-3-5-9-22/h3-5,8-9,11-18,31H,6-7,10,20-21H2,1-2H3/b28-27-.
What are the key properties of (Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile?
(Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile has a molecular weight of 426.56 g/mol, XLogP of 5.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-5-phenylhex-5-enenitrile is sourced from PubChem (CID 24825445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).