4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

C34H45NO2 — CID 122180154

IUPAC4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCCCCCCCCCCNCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C34H45NO2/c1-3-5-6-7-8-9-10-14-25-35-26-27-37-32-23-19-30(20-24-32)34(29-17-21-31(36)22-18-29)33(4-2)28-15-12-11-13-16-28/h11-13,15-24,35-36H,3-10,14,25-27H2,1-2H3/b34-33-
InChIKeyLENRQNHPRCGFJR-YHZPTAEISA-N
MW499.74 g/mol
LogP8.87
Rot. Bonds17

About 4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (PubChem CID 122180154) has the molecular formula C34H45NO2 and a molecular weight of 499.74 g/mol. Its IUPAC name is 4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
PubChem CID122180154
Molecular FormulaC34H45NO2
Molecular Weight499.74 g/mol
Exact Mass499.35
IUPAC Name4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCCCCCCCCCCNCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C34H45NO2/c1-3-5-6-7-8-9-10-14-25-35-26-27-37-32-23-19-30(20-24-32)34(29-17-21-31(36)22-18-29)33(4-2)28-15-12-11-13-16-28/h11-13,15-24,35-36H,3-10,14,25-27H2,1-2H3/b34-33-
InChIKeyLENRQNHPRCGFJR-YHZPTAEISA-N
XLogP8.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.74
LogP ≤ 58.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (CID 122180154) is 4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is CCCCCCCCCCNCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The InChIKey is LENRQNHPRCGFJR-YHZPTAEISA-N. The full InChI is InChI=1S/C34H45NO2/c1-3-5-6-7-8-9-10-14-25-35-26-27-37-32-23-19-30(20-24-32)34(29-17-21-31(36)22-18-29)33(4-2)28-15-12-11-13-16-28/h11-13,15-24,35-36H,3-10,14,25-27H2,1-2H3/b34-33-.
What are the key properties of 4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol?
4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol has a molecular weight of 499.74 g/mol, XLogP of 8.87, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-[2-(decylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is sourced from PubChem (CID 122180154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).