4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol

C38H53NO2 — CID 122180155

IUPAC4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol
SMILESCCCCCCCCCCCCCCNCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C38H53NO2/c1-3-5-6-7-8-9-10-11-12-13-14-18-29-39-30-31-41-36-27-23-34(24-28-36)38(33-21-25-35(40)26-22-33)37(4-2)32-19-16-15-17-20-32/h15-17,19-28,39-40H,3-14,18,29-31H2,1-2H3/b38-37-
InChIKeyTUTUCHKAYMFGOL-DTTHWBISSA-N
MW555.85 g/mol
LogP10.43
Rot. Bonds21

About 4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol

4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol (PubChem CID 122180155) has the molecular formula C38H53NO2 and a molecular weight of 555.85 g/mol. Its IUPAC name is 4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol
PubChem CID122180155
Molecular FormulaC38H53NO2
Molecular Weight555.85 g/mol
Exact Mass555.41
IUPAC Name4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol
SMILESCCCCCCCCCCCCCCNCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C38H53NO2/c1-3-5-6-7-8-9-10-11-12-13-14-18-29-39-30-31-41-36-27-23-34(24-28-36)38(33-21-25-35(40)26-22-33)37(4-2)32-19-16-15-17-20-32/h15-17,19-28,39-40H,3-14,18,29-31H2,1-2H3/b38-37-
InChIKeyTUTUCHKAYMFGOL-DTTHWBISSA-N
XLogP10.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.85
LogP ≤ 510.43
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)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol?
The IUPAC name of 4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol (CID 122180155) is 4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol is CCCCCCCCCCCCCCNCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol?
The InChIKey is TUTUCHKAYMFGOL-DTTHWBISSA-N. The full InChI is InChI=1S/C38H53NO2/c1-3-5-6-7-8-9-10-11-12-13-14-18-29-39-30-31-41-36-27-23-34(24-28-36)38(33-21-25-35(40)26-22-33)37(4-2)32-19-16-15-17-20-32/h15-17,19-28,39-40H,3-14,18,29-31H2,1-2H3/b38-37-.
What are the key properties of 4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol?
4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol has a molecular weight of 555.85 g/mol, XLogP of 10.43, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-phenyl-1-[4-[2-(tetradecylamino)ethoxy]phenyl]but-1-enyl]phenol is sourced from PubChem (CID 122180155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).