4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol

C28H33NO3 — CID 24825454

IUPAC4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol
SMILESCN(C)CCOc1ccc(/C(=C(/CCCCO)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H33NO3/c1-29(2)19-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-20-30)22-8-4-3-5-9-22/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3/b28-27-
InChIKeyKRPGZUBOFAMQPA-DQSJHHFOSA-N
MW431.58 g/mol
LogP5.45
Rot. Bonds11

About 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol

4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol (PubChem CID 24825454) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol
PubChem CID24825454
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol
SMILESCN(C)CCOc1ccc(/C(=C(/CCCCO)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H33NO3/c1-29(2)19-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-20-30)22-8-4-3-5-9-22/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3/b28-27-
InChIKeyKRPGZUBOFAMQPA-DQSJHHFOSA-N
XLogP5.45
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol (CID 24825454) is 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol is CN(C)CCOc1ccc(/C(=C(/CCCCO)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol?
The InChIKey is KRPGZUBOFAMQPA-DQSJHHFOSA-N. The full InChI is InChI=1S/C28H33NO3/c1-29(2)19-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-20-30)22-8-4-3-5-9-22/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3/b28-27-.
What are the key properties of 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol?
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol has a molecular weight of 431.58 g/mol, XLogP of 5.45, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-6-hydroxy-2-phenylhex-1-enyl]phenol is sourced from PubChem (CID 24825454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).