4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol

C26H37NO2 — CID 10620728

IUPAC4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol
SMILESCCCCCC/C=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C26H37NO2/c1-4-7-8-9-10-11-26(22-12-16-24(28)17-13-22)23-14-18-25(19-15-23)29-21-20-27(5-2)6-3/h11-19,28H,4-10,20-21H2,1-3H3/b26-11+
InChIKeyNLUMLXMYTSTSKI-KBKYJPHKSA-N
MW395.59 g/mol
LogP6.51
Rot. Bonds13

About 4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol

4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol (PubChem CID 10620728) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol
PubChem CID10620728
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol
SMILESCCCCCC/C=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C26H37NO2/c1-4-7-8-9-10-11-26(22-12-16-24(28)17-13-22)23-14-18-25(19-15-23)29-21-20-27(5-2)6-3/h11-19,28H,4-10,20-21H2,1-3H3/b26-11+
InChIKeyNLUMLXMYTSTSKI-KBKYJPHKSA-N
XLogP6.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]but-1-enyl]phenol
CID 18988705
4-octadecoxyphenol
CID 22179059
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol
CID 72958463
2-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-bis(4-hydroxyphenyl)prop-2-enenitrile
CID 15123161
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
4-[(E)-4-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 177495982
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
4-(4-tetradecoxyphenyl)tellanylphenol
CID 10255753
4-(4-tetradecoxyanilino)phenol
CID 174780996
4-[(4-hydroxyphenyl)-(4-octoxyphenyl)methyl]phenol
CID 139680451

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol?
The IUPAC name of 4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol (CID 10620728) is 4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol?
The canonical SMILES for 4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol is CCCCCC/C=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1.
What is the InChIKey of 4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol?
The InChIKey is NLUMLXMYTSTSKI-KBKYJPHKSA-N. The full InChI is InChI=1S/C26H37NO2/c1-4-7-8-9-10-11-26(22-12-16-24(28)17-13-22)23-14-18-25(19-15-23)29-21-20-27(5-2)6-3/h11-19,28H,4-10,20-21H2,1-3H3/b26-11+.
What are the key properties of 4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol?
4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol has a molecular weight of 395.59 g/mol, XLogP of 6.51, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]oct-1-enyl]phenol is sourced from PubChem (CID 10620728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).