4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol

C26H28ClNO2 — CID 3036167

IUPAC4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol
SMILESCCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H28ClNO2/c1-3-28(4-2)18-19-30-24-16-12-21(13-17-24)25(20-10-14-23(29)15-11-20)26(27)22-8-6-5-7-9-22/h5-17,29H,3-4,18-19H2,1-2H3/b26-25+
InChIKeyLTZHRTXXQIPLOH-OCEACIFDSA-N
MW421.97 g/mol
LogP6.27
Rot. Bonds9

About 4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol

4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol (PubChem CID 3036167) has the molecular formula C26H28ClNO2 and a molecular weight of 421.97 g/mol. Its IUPAC name is 4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol
PubChem CID3036167
Molecular FormulaC26H28ClNO2
Molecular Weight421.97 g/mol
Exact Mass421.18
IUPAC Name4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol
SMILESCCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H28ClNO2/c1-3-28(4-2)18-19-30-24-16-12-21(13-17-24)25(20-10-14-23(29)15-11-20)26(27)22-8-6-5-7-9-22/h5-17,29H,3-4,18-19H2,1-2H3/b26-25+
InChIKeyLTZHRTXXQIPLOH-OCEACIFDSA-N
XLogP6.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol?
The IUPAC name of 4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol (CID 3036167) is 4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol?
The canonical SMILES for 4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol is CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol?
The InChIKey is LTZHRTXXQIPLOH-OCEACIFDSA-N. The full InChI is InChI=1S/C26H28ClNO2/c1-3-28(4-2)18-19-30-24-16-12-21(13-17-24)25(20-10-14-23(29)15-11-20)26(27)22-8-6-5-7-9-22/h5-17,29H,3-4,18-19H2,1-2H3/b26-25+.
What are the key properties of 4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol?
4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol has a molecular weight of 421.97 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol is sourced from PubChem (CID 3036167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).