4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol

C24H33NO2 — CID 10808997

IUPAC4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol
SMILESCCCC/C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C24H33NO2/c1-4-7-8-9-24(20-10-14-22(26)15-11-20)21-12-16-23(17-13-21)27-19-18-25(5-2)6-3/h9-17,26H,4-8,18-19H2,1-3H3/b24-9-
InChIKeyRIMXSFHITCMBCL-OPVMPGTRSA-N
MW367.53 g/mol
LogP5.73
Rot. Bonds11

About 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol

4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol (PubChem CID 10808997) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol
PubChem CID10808997
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol
SMILESCCCC/C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C24H33NO2/c1-4-7-8-9-24(20-10-14-22(26)15-11-20)21-12-16-23(17-13-21)27-19-18-25(5-2)6-3/h9-17,26H,4-8,18-19H2,1-3H3/b24-9-
InChIKeyRIMXSFHITCMBCL-OPVMPGTRSA-N
XLogP5.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.73
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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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol (CID 10808997) is 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol is CCCC/C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1.
What is the InChIKey of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol?
The InChIKey is RIMXSFHITCMBCL-OPVMPGTRSA-N. The full InChI is InChI=1S/C24H33NO2/c1-4-7-8-9-24(20-10-14-22(26)15-11-20)21-12-16-23(17-13-21)27-19-18-25(5-2)6-3/h9-17,26H,4-8,18-19H2,1-3H3/b24-9-.
What are the key properties of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol?
4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol has a molecular weight of 367.53 g/mol, XLogP of 5.73, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]hex-1-enyl]phenol is sourced from PubChem (CID 10808997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).